N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide

C16H30N2O — CID 81485419

IUPACN-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CN)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyVSMZEFJOROXJNS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide

N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 81485419) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID81485419
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CN)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyVSMZEFJOROXJNS-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106737463
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
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N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide
CID 81486792
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
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2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide (CID 81485419) is N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(CN)C2CCCCC2)CC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VSMZEFJOROXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide?
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 81485419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).