1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide

C17H34N2O — CID 115437743

IUPAC1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)10-6-3-4-9-13-19-16(20)17(14-18)11-7-5-8-12-17/h15H,3-14,18H2,1-2H3,(H,19,20)
InChIKeyCXJPTSFSMQPPDQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.62
Rot. Bonds9

About 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide (PubChem CID 115437743) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
PubChem CID115437743
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)10-6-3-4-9-13-19-16(20)17(14-18)11-7-5-8-12-17/h15H,3-14,18H2,1-2H3,(H,19,20)
InChIKeyCXJPTSFSMQPPDQ-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide (CID 115437743) is 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide is CC(C)CCCCCCNC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The InChIKey is CXJPTSFSMQPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)10-6-3-4-9-13-19-16(20)17(14-18)11-7-5-8-12-17/h15H,3-14,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).