1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide

C17H34N2O2 — CID 115435070

IUPAC1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1(CN)CCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-8-12-19(13-9-14-20)16(21)17(15-18)10-6-7-11-17/h20H,2-15,18H2,1H3
InChIKeyKKVWYNPNZSAQCO-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.69
Rot. Bonds11

About 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 115435070) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID115435070
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1(CN)CCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-8-12-19(13-9-14-20)16(21)17(15-18)10-6-7-11-17/h20H,2-15,18H2,1H3
InChIKeyKKVWYNPNZSAQCO-UHFFFAOYSA-N
XLogP2.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140
1-(aminomethyl)-N,N-bis[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 115452941
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
CID 79853666
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
1-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
N-butyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131187

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide (CID 115435070) is 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide is CCCCCCCN(CCCO)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is KKVWYNPNZSAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-8-12-19(13-9-14-20)16(21)17(15-18)10-6-7-11-17/h20H,2-15,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 2.69, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115435070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).