2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone

C16H31N3O — CID 62010554

IUPAC2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O/c1-2-10-19(16(14-17)8-4-5-9-16)13-15(20)18-11-6-3-7-12-18/h2-14,17H2,1H3
InChIKeyPIJXXCSSQOSZJT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.98
Rot. Bonds6

About 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone

2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone (PubChem CID 62010554) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
PubChem CID62010554
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O/c1-2-10-19(16(14-17)8-4-5-9-16)13-15(20)18-11-6-3-7-12-18/h2-14,17H2,1H3
InChIKeyPIJXXCSSQOSZJT-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
CID 79157486
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
CID 62008767
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone (CID 62010554) is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone is CCCN(CC(=O)N1CCCCC1)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone?
The InChIKey is PIJXXCSSQOSZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-10-19(16(14-17)8-4-5-9-16)13-15(20)18-11-6-3-7-12-18/h2-14,17H2,1H3.
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone?
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone has a molecular weight of 281.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 62010554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).