(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

C166H300N34O12S — CID 157212818

IUPAC(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
SMILESC(CN1CCNCC1)CN1CCOCC1.C1CCN(CCN2CCNCC2)CC1.CC(C)(C)OC(=O)N1CC(C2CCNCC2)C[C@H]1C(=O)O.CC1(C)C[C@@H]2C[C@@](C)(CN2)C1.CC1CCCN1.CCNC(Cc1ccccc1)c1ccco1.CCNCC(C)(C)O.CNCC(=O)N(C)C.CNCCCN(C)C.CNCCN(C)C.CNCc1ccco1.COC[C@H]1CCCN1.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H](NCc1ccccc1)c1ccccc1.OC1CCCNC1.c1ccc2[nH]c(CN3CCNCC3)nc2c1.c1ccc2[nH]c(N3CCNCC3)nc2c1.c1csc(CCN2CCNCC2)c1
InChIInChI=1S/C15H26N2O4.C15H17N.C14H17NO.C12H16N4.C11H14N4.C11H23N3O.C11H23N3.C10H16N2S.C10H19N.C7H15N.C6H16N2.2C6H13NO.C6H9NO.C6H15NO.C5H12N2O.C5H14N2.C5H11NO.C5H11N/c1-15(2,3)21-14(20)17-9-11(8-12(17)13(18)19)10-4-6-16-7-5-10;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;1-2-4-11-10(3-1)14-12(15-11)9-16-7-5-13-6-8-16;1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15;1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14;1-2-6-13(7-3-1)10-11-14-8-4-12-5-9-14;1-2-10(13-9-1)3-6-12-7-4-11-5-8-12;1-9(2)4-8-5-10(3,6-9)7-11-8;1-6-4-3-5-7(2)8-6;1-7-5-4-6-8(2)3;1-5-3-7-4-6(2)8-5;1-8-5-6-3-2-4-7-6;1-7-5-6-3-2-4-8-6;1-4-7-5-6(2,3)8;1-6-4-5(8)7(2)3;1-6-4-5-7(2)3;7-5-2-1-3-6-4-5;1-5-3-2-4-6-5/h10-12,16H,4-9H2,1-3H3,(H,18,19);2-11,13,16H,12H2,1H3;3-10,13,15H,2,11H2,1H3;1-4,13H,5-9H2,(H,14,15);1-4,12H,5-8H2,(H,13,14);12H,1-11H2;12H,1-11H2;1-2,9,11H,3-8H2;8,11H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;2-4,7H,5H2,1H3;7-8H,4-5H2,1-3H3;6H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7H,1-4H2;5-6H,2-4H2,1H3/t11?,12-;13-;;;;;;;8-,10-;6-,7+;;5-,6+;6-;;;;;;/m00......1...1....../s1
InChIKeyASBRPWCWWRXINK-VYFHZYPZSA-N
MW2996.52 g/mol
LogP17.09
Rot. Bonds40

About (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 157212818) has the molecular formula C166H300N34O12S and a molecular weight of 2996.52 g/mol. Its IUPAC name is (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
PubChem CID157212818
Molecular FormulaC166H300N34O12S
Molecular Weight2996.52 g/mol
Exact Mass2994.36
IUPAC Name(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
SMILESC(CN1CCNCC1)CN1CCOCC1.C1CCN(CCN2CCNCC2)CC1.CC(C)(C)OC(=O)N1CC(C2CCNCC2)C[C@H]1C(=O)O.CC1(C)C[C@@H]2C[C@@](C)(CN2)C1.CC1CCCN1.CCNC(Cc1ccccc1)c1ccco1.CCNCC(C)(C)O.CNCC(=O)N(C)C.CNCCCN(C)C.CNCCN(C)C.CNCc1ccco1.COC[C@H]1CCCN1.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H](NCc1ccccc1)c1ccccc1.OC1CCCNC1.c1ccc2[nH]c(CN3CCNCC3)nc2c1.c1ccc2[nH]c(N3CCNCC3)nc2c1.c1csc(CCN2CCNCC2)c1
InChIInChI=1S/C15H26N2O4.C15H17N.C14H17NO.C12H16N4.C11H14N4.C11H23N3O.C11H23N3.C10H16N2S.C10H19N.C7H15N.C6H16N2.2C6H13NO.C6H9NO.C6H15NO.C5H12N2O.C5H14N2.C5H11NO.C5H11N/c1-15(2,3)21-14(20)17-9-11(8-12(17)13(18)19)10-4-6-16-7-5-10;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;1-2-4-11-10(3-1)14-12(15-11)9-16-7-5-13-6-8-16;1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15;1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14;1-2-6-13(7-3-1)10-11-14-8-4-12-5-9-14;1-2-10(13-9-1)3-6-12-7-4-11-5-8-12;1-9(2)4-8-5-10(3,6-9)7-11-8;1-6-4-3-5-7(2)8-6;1-7-5-4-6-8(2)3;1-5-3-7-4-6(2)8-5;1-8-5-6-3-2-4-7-6;1-7-5-6-3-2-4-8-6;1-4-7-5-6(2,3)8;1-6-4-5(8)7(2)3;1-6-4-5-7(2)3;7-5-2-1-3-6-4-5;1-5-3-2-4-6-5/h10-12,16H,4-9H2,1-3H3,(H,18,19);2-11,13,16H,12H2,1H3;3-10,13,15H,2,11H2,1H3;1-4,13H,5-9H2,(H,14,15);1-4,12H,5-8H2,(H,13,14);12H,1-11H2;12H,1-11H2;1-2,9,11H,3-8H2;8,11H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;2-4,7H,5H2,1H3;7-8H,4-5H2,1-3H3;6H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7H,1-4H2;5-6H,2-4H2,1H3/t11?,12-;13-;;;;;;;8-,10-;6-,7+;;5-,6+;6-;;;;;;/m00......1...1....../s1
InChIKeyASBRPWCWWRXINK-VYFHZYPZSA-N
XLogP17.09
TPSA496.67 Ų
H-Bond Donors24
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002996.52
LogP ≤ 517.09
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (CID 157212818) is (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is C(CN1CCNCC1)CN1CCOCC1.C1CCN(CCN2CCNCC2)CC1.CC(C)(C)OC(=O)N1CC(C2CCNCC2)C[C@H]1C(=O)O.CC1(C)C[C@@H]2C[C@@](C)(CN2)C1.CC1CCCN1.CCNC(Cc1ccccc1)c1ccco1.CCNCC(C)(C)O.CNCC(=O)N(C)C.CNCCCN(C)C.CNCCN(C)C.CNCc1ccco1.COC[C@H]1CCCN1.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H](NCc1ccccc1)c1ccccc1.OC1CCCNC1.c1ccc2[nH]c(CN3CCNCC3)nc2c1.c1ccc2[nH]c(N3CCNCC3)nc2c1.c1csc(CCN2CCNCC2)c1.
What is the InChIKey of (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is ASBRPWCWWRXINK-VYFHZYPZSA-N. The full InChI is InChI=1S/C15H26N2O4.C15H17N.C14H17NO.C12H16N4.C11H14N4.C11H23N3O.C11H23N3.C10H16N2S.C10H19N.C7H15N.C6H16N2.2C6H13NO.C6H9NO.C6H15NO.C5H12N2O.C5H14N2.C5H11NO.C5H11N/c1-15(2,3)21-14(20)17-9-11(8-12(17)13(18)19)10-4-6-16-7-5-10;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;1-2-4-11-10(3-1)14-12(15-11)9-16-7-5-13-6-8-16;1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15;1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14;1-2-6-13(7-3-1)10-11-14-8-4-12-5-9-14;1-2-10(13-9-1)3-6-12-7-4-11-5-8-12;1-9(2)4-8-5-10(3,6-9)7-11-8;1-6-4-3-5-7(2)8-6;1-7-5-4-6-8(2)3;1-5-3-7-4-6(2)8-5;1-8-5-6-3-2-4-7-6;1-7-5-6-3-2-4-8-6;1-4-7-5-6(2,3)8;1-6-4-5(8)7(2)3;1-6-4-5-7(2)3;7-5-2-1-3-6-4-5;1-5-3-2-4-6-5/h10-12,16H,4-9H2,1-3H3,(H,18,19);2-11,13,16H,12H2,1H3;3-10,13,15H,2,11H2,1H3;1-4,13H,5-9H2,(H,14,15);1-4,12H,5-8H2,(H,13,14);12H,1-11H2;12H,1-11H2;1-2,9,11H,3-8H2;8,11H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;2-4,7H,5H2,1H3;7-8H,4-5H2,1-3H3;6H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7H,1-4H2;5-6H,2-4H2,1H3/t11?,12-;13-;;;;;;;8-,10-;6-,7+;;5-,6+;6-;;;;;;/m00......1...1....../s1.
What are the key properties of (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 2996.52 g/mol, XLogP of 17.09, 40 rotatable bonds, 24 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 157212818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).