1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

C15H30N2O2 — CID 115435051

IUPAC1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(CN)CCCC1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-7-10-17(11-12-18)14(19)15(13-16)8-5-6-9-15/h18H,2-13,16H2,1H3
InChIKeyMUORNCKMQZESQZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.91
Rot. Bonds9

About 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (PubChem CID 115435051) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
PubChem CID115435051
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(CN)CCCC1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-7-10-17(11-12-18)14(19)15(13-16)8-5-6-9-15/h18H,2-13,16H2,1H3
InChIKeyMUORNCKMQZESQZ-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.91
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-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 115435070
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140
N-butyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131187
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 107479058
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 115448195
N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 63143750
1-(aminomethyl)-N,N-bis[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 115452941
1-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980166

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (CID 115435051) is 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is CCCCCCN(CCO)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The InChIKey is MUORNCKMQZESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-7-10-17(11-12-18)14(19)15(13-16)8-5-6-9-15/h18H,2-13,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115435051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).