1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine

C122H264N28O — CID 158842009

IUPAC1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCN(CCN(C)C)CC1.CC(C)N1CCCN(CCN(C)C)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCN2CCC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCOCC1.CCN1CCC(N(C)C(C)C)CC1
InChIInChI=1S/2C13H27N3.C13H29N3.C12H25N3.C12H27N3.C11H23N3.C11H25N3.C11H24N2.C10H22N2.C9H20N2.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-12(2)15(5)13-6-8-16(9-7-13)11-10-14(3)4;1-12(2)15-10-8-14(9-11-15)7-6-13-4-3-5-13;1-12(2)15-7-5-6-14(10-11-15)9-8-13(3)4;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-5-13-8-6-11(7-9-13)12(4)10(2)3;1-9(2)12(4)10-5-7-11(3)8-6-10;1-8(2)11(4)9-5-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;13H,3-12H2,1-2H3;12-13H,6-11H2,1-5H3;12H,3-11H2,1-2H3;12H,5-11H2,1-4H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3
InChIKeyIYIZSRXHOOBQSA-UHFFFAOYSA-N
MW2139.65 g/mol
LogP11.14
Rot. Bonds33

About 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine

1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 158842009) has the molecular formula C122H264N28O and a molecular weight of 2139.65 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID158842009
Molecular FormulaC122H264N28O
Molecular Weight2139.65 g/mol
Exact Mass2138.15
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCN(CCN(C)C)CC1.CC(C)N1CCCN(CCN(C)C)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCN2CCC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCOCC1.CCN1CCC(N(C)C(C)C)CC1
InChIInChI=1S/2C13H27N3.C13H29N3.C12H25N3.C12H27N3.C11H23N3.C11H25N3.C11H24N2.C10H22N2.C9H20N2.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-12(2)15(5)13-6-8-16(9-7-13)11-10-14(3)4;1-12(2)15-10-8-14(9-11-15)7-6-13-4-3-5-13;1-12(2)15-7-5-6-14(10-11-15)9-8-13(3)4;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-5-13-8-6-11(7-9-13)12(4)10(2)3;1-9(2)12(4)10-5-7-11(3)8-6-10;1-8(2)11(4)9-5-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;13H,3-12H2,1-2H3;12-13H,6-11H2,1-5H3;12H,3-11H2,1-2H3;12H,5-11H2,1-4H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3
InChIKeyIYIZSRXHOOBQSA-UHFFFAOYSA-N
XLogP11.14
TPSA99.95 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.65
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 158842009) is 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine is CC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCN(CCN(C)C)CC1.CC(C)N1CCCN(CCN(C)C)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCN2CCC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCOCC1.CCN1CCC(N(C)C(C)C)CC1.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is IYIZSRXHOOBQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N3.C13H29N3.C12H25N3.C12H27N3.C11H23N3.C11H25N3.C11H24N2.C10H22N2.C9H20N2.C7H15NO/c1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-12(2)15(5)13-6-8-16(9-7-13)11-10-14(3)4;1-12(2)15-10-8-14(9-11-15)7-6-13-4-3-5-13;1-12(2)15-7-5-6-14(10-11-15)9-8-13(3)4;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-5-13-8-6-11(7-9-13)12(4)10(2)3;1-9(2)12(4)10-5-7-11(3)8-6-10;1-8(2)11(4)9-5-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;13H,3-12H2,1-2H3;12-13H,6-11H2,1-5H3;12H,3-11H2,1-2H3;12H,5-11H2,1-4H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3.
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?
1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 2139.65 g/mol, XLogP of 11.14, 33 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-4-propan-2-ylpiperazine;1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,N-dimethyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanamine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;1-ethyl-N-methyl-N-propan-2-ylpiperidin-4-amine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 158842009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).