1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide

C18H36N2O — CID 64549829

IUPAC1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C18H36N2O/c1-4-6-8-13-20(14-9-7-5-2)17(21)18(19)12-10-11-16(3)15-18/h16H,4-15,19H2,1-3H3
InChIKeyOKYWZPMPMRFOHX-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.10
Rot. Bonds9

About 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide

1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide (PubChem CID 64549829) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
PubChem CID64549829
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C18H36N2O/c1-4-6-8-13-20(14-9-7-5-2)17(21)18(19)12-10-11-16(3)15-18/h16H,4-15,19H2,1-3H3
InChIKeyOKYWZPMPMRFOHX-UHFFFAOYSA-N
XLogP4.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(cyclopropylmethyl)-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64551240
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
1-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625
1-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64552541
1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
CID 64584223
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
2-amino-1-methyl-N,N-dipentylcyclopentane-1-carboxamide
CID 82763489
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64550859
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide (CID 64549829) is 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide is CCCCCN(CCCCC)C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide?
The InChIKey is OKYWZPMPMRFOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-6-8-13-20(14-9-7-5-2)17(21)18(19)12-10-11-16(3)15-18/h16H,4-15,19H2,1-3H3.
What are the key properties of 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide?
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide is sourced from PubChem (CID 64549829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).