2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine

C13H27N — CID 130705967

IUPAC2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C(C)C(C)C)C(C)C1
InChIInChI=1S/C13H27N/c1-9(2)12(5)13(14)7-6-10(3)8-11(13)4/h9-12H,6-8,14H2,1-5H3
InChIKeyMYZYBHLBFIKNRW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.43
Rot. Bonds2

About 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine

2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 130705967) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID130705967
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C(C)C(C)C)C(C)C1
InChIInChI=1S/C13H27N/c1-9(2)12(5)13(14)7-6-10(3)8-11(13)4/h9-12H,6-8,14H2,1-5H3
InChIKeyMYZYBHLBFIKNRW-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-propan-2-ylcyclobutan-1-amine
CID 57373673
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
CID 166844124
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
2,5-dimethylcycloheptane-1,1-diamine
CID 174899795
[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 65384767
2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64761587
1,4-dimethylcyclohexane-1,2-diamine
CID 91102899
2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 130647932

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine (CID 130705967) is 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine is CC1CCC(N)(C(C)C(C)C)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is MYZYBHLBFIKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)12(5)13(14)7-6-10(3)8-11(13)4/h9-12H,6-8,14H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 130705967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).