1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

C17H34N2O2 — CID 60953140

IUPAC1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1(N)CCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-9-13-19(14-10-15-20)16(21)17(18)11-7-6-8-12-17/h20H,2-15,18H2,1H3
InChIKeyGQSNHTMQYQECEO-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.83
Rot. Bonds10

About 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 60953140) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID60953140
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1(N)CCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-9-13-19(14-10-15-20)16(21)17(18)11-7-6-8-12-17/h20H,2-15,18H2,1H3
InChIKeyGQSNHTMQYQECEO-UHFFFAOYSA-N
XLogP2.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.83
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-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625
1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 115435070
1-amino-N,N-dipropylcyclobutane-1-carboxamide
CID 81167159
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
CID 79853666
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-amino-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 65466619
1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262683
1-amino-N-[2-(dimethylamino)ethyl]-N-propylcyclobutane-1-carboxamide
CID 81169609
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (CID 60953140) is 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is CCCCCCCN(CCCO)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is GQSNHTMQYQECEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-9-13-19(14-10-15-20)16(21)17(18)11-7-6-8-12-17/h20H,2-15,18H2,1H3.
What are the key properties of 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60953140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).