2-amino-N,3-dimethylcyclohexane-1-carboxamide

C9H18N2O — CID 62776522

IUPAC2-amino-N,3-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC(C)C1N
InChIInChI=1S/C9H18N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyHDYBFQDQEZSCKO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-N,3-dimethylcyclohexane-1-carboxamide

2-amino-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 62776522) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID62776522
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-N,3-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC(C)C1N
InChIInChI=1S/C9H18N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyHDYBFQDQEZSCKO-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
2-amino-N-(2-methoxycyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 62782215
2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 114169878
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
2-chloro-N-methylcyclopentane-1-carboxamide
CID 170236386
cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 131089330
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
CID 62921617
2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N,3-dimethylcyclohexane-1-carboxamide (CID 62776522) is 2-amino-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N,3-dimethylcyclohexane-1-carboxamide is CNC(=O)C1CCCC(C)C1N.
What is the InChIKey of 2-amino-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is HDYBFQDQEZSCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N,3-dimethylcyclohexane-1-carboxamide?
2-amino-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62776522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).