2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine

C13H27N — CID 64773954

IUPAC2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCC1(N)CCCC(C)C1C
InChIInChI=1S/C13H27N/c1-10(2)7-9-13(14)8-5-6-11(3)12(13)4/h10-12H,5-9,14H2,1-4H3
InChIKeySBRFDCALIFWSGI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine

2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine (PubChem CID 64773954) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
PubChem CID64773954
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCC1(N)CCCC(C)C1C
InChIInChI=1S/C13H27N/c1-10(2)7-9-13(14)8-5-6-11(3)12(13)4/h10-12H,5-9,14H2,1-4H3
InChIKeySBRFDCALIFWSGI-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154140
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64775391
1-(3-methylbutyl)-2-propan-2-ylcyclopropan-1-amine
CID 84653595
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
1-(aminomethyl)-2,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylcyclohexan-1-amine
CID 79483197
1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol
CID 164652728
1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
1-[(3-bromothiophen-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64773953
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
1-(5-methylhexyl)cyclopropan-1-amine
CID 83905195

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine (CID 64773954) is 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine is CC(C)CCC1(N)CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine?
The InChIKey is SBRFDCALIFWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)7-9-13(14)8-5-6-11(3)12(13)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine?
2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 64773954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).