1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide

C15H30N2O — CID 63926094

IUPAC1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)7-8-13(3)17-14(18)15(11-16)9-5-4-6-10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyRRPPTDXPTCPIRN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide (PubChem CID 63926094) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
PubChem CID63926094
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)7-8-13(3)17-14(18)15(11-16)9-5-4-6-10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyRRPPTDXPTCPIRN-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide (CID 63926094) is 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide is CC(C)CCC(C)NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RRPPTDXPTCPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)7-8-13(3)17-14(18)15(11-16)9-5-4-6-10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63926094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).