2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine

C13H27N — CID 83138887

IUPAC2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)CC1CCCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3
InChIKeyJAAOIZGNGGIBNG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine

2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83138887) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
PubChem CID83138887
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)CC1CCCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3
InChIKeyJAAOIZGNGGIBNG-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

3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
1-cyclopentyl-3,3-dimethylbutane-2-thiol
CID 145173372
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138980
2,3-dimethylbutylcyclodecane
CID 123220792
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
(1-cyclohexyl-4,5,5-trimethylhexan-2-yl)hydrazine
CID 105296296
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
CID 63119306
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
2-(cyclopentylmethoxy)-3,3-dimethylbutan-1-amine
CID 66323011

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine (CID 83138887) is 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is JAAOIZGNGGIBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-13(2,3)12(10-14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine?
2-(cyclohexylmethyl)-3,3-dimethylbutan-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-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83138887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).