5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide

C15H30N2O — CID 102706782

IUPAC5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H30N2O/c1-9(2)12(5)8-17-15(18)13-7-14(16)11(4)6-10(13)3/h9-14H,6-8,16H2,1-5H3,(H,17,18)
InChIKeyBMJGXRNEGRNFMQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.40
Rot. Bonds4

About 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706782) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706782
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H30N2O/c1-9(2)12(5)8-17-15(18)13-7-14(16)11(4)6-10(13)3/h9-14H,6-8,16H2,1-5H3,(H,17,18)
InChIKeyBMJGXRNEGRNFMQ-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706782) is 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide is CC(C)C(C)CNC(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is BMJGXRNEGRNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-9(2)12(5)8-17-15(18)13-7-14(16)11(4)6-10(13)3/h9-14H,6-8,16H2,1-5H3,(H,17,18).
What are the key properties of 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).