tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine

C117H197Cl3N20O22 — CID 157153543

IUPACtert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCCC(N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.ClC(Cl)Cl.NC1CCNC1.O=C(NC1CCNC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C22H26N4O2.C18H18N2O3.3C11H22N2O2.2C10H20N2O2.C10H18O5.C9H18N2O2.C4H10N2.CHCl3/c27-22(24-17-8-10-23-13-17)15-6-7-20-19(12-15)25-21(16-9-11-28-14-16)26(20)18-4-2-1-3-5-18;21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-4-1-2-6-3-4;2-1(3)4/h6-7,9,11-12,14,17-18,23H,1-5,8,10,13H2,(H,24,27);6-11,14H,1-5H2,(H,21,22);9H,4-8,12H2,1-3H3;2*8-9H,4-7,12H2,1-3H3,(H,13,14);2*8H,4-7,11H2,1-3H3;1-6H3;7H,4-6,10H2,1-3H3;4,6H,1-3,5H2;1H
InChIKeyALNRUKHJDHINPG-UHFFFAOYSA-N
MW2342.34 g/mol
LogP21.36
Rot. Bonds10

About tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine

tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine (PubChem CID 157153543) has the molecular formula C117H197Cl3N20O22 and a molecular weight of 2342.34 g/mol. Its IUPAC name is tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine
PubChem CID157153543
Molecular FormulaC117H197Cl3N20O22
Molecular Weight2342.34 g/mol
Exact Mass2339.40
IUPAC Nametert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCCC(N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.ClC(Cl)Cl.NC1CCNC1.O=C(NC1CCNC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C22H26N4O2.C18H18N2O3.3C11H22N2O2.2C10H20N2O2.C10H18O5.C9H18N2O2.C4H10N2.CHCl3/c27-22(24-17-8-10-23-13-17)15-6-7-20-19(12-15)25-21(16-9-11-28-14-16)26(20)18-4-2-1-3-5-18;21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-4-1-2-6-3-4;2-1(3)4/h6-7,9,11-12,14,17-18,23H,1-5,8,10,13H2,(H,24,27);6-11,14H,1-5H2,(H,21,22);9H,4-8,12H2,1-3H3;2*8-9H,4-7,12H2,1-3H3,(H,13,14);2*8H,4-7,11H2,1-3H3;1-6H3;7H,4-6,10H2,1-3H3;4,6H,1-3,5H2;1H
InChIKeyALNRUKHJDHINPG-UHFFFAOYSA-N
XLogP21.36
TPSA591.17 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002342.34
LogP ≤ 521.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine?
The IUPAC name of tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine (CID 157153543) is tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine.
What is the SMILES notation for tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine?
The canonical SMILES for tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine is CC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCCC(N)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.ClC(Cl)Cl.NC1CCNC1.O=C(NC1CCNC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.
What is the InChIKey of tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine?
The InChIKey is ALNRUKHJDHINPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.C18H18N2O3.3C11H22N2O2.2C10H20N2O2.C10H18O5.C9H18N2O2.C4H10N2.CHCl3/c27-22(24-17-8-10-23-13-17)15-6-7-20-19(12-15)25-21(16-9-11-28-14-16)26(20)18-4-2-1-3-5-18;21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-4-1-2-6-3-4;2-1(3)4/h6-7,9,11-12,14,17-18,23H,1-5,8,10,13H2,(H,24,27);6-11,14H,1-5H2,(H,21,22);9H,4-8,12H2,1-3H3;2*8-9H,4-7,12H2,1-3H3,(H,13,14);2*8H,4-7,11H2,1-3H3;1-6H3;7H,4-6,10H2,1-3H3;4,6H,1-3,5H2;1H.
What are the key properties of tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine?
tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine has a molecular weight of 2342.34 g/mol, XLogP of 21.36, 10 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminocyclohexyl)carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloroform;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid;1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;pyrrolidin-3-amine is sourced from PubChem (CID 157153543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).