2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine

C13H27N — CID 83818947

IUPAC2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
SMILESCC(C)(C)CC1(CCN)CCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-13(9-10-14)7-5-4-6-8-13/h4-11,14H2,1-3H3
InChIKeyAWUYLTMVLCCCAI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds3

About 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine

2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine (PubChem CID 83818947) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
PubChem CID83818947
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
SMILESCC(C)(C)CC1(CCN)CCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-13(9-10-14)7-5-4-6-8-13/h4-11,14H2,1-3H3
InChIKeyAWUYLTMVLCCCAI-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
CID 175025312
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
2-[1-(2-iodoethyl)cyclohexyl]ethanamine
CID 90084213
2-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 115021831
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine
CID 65497534
ethane;2-(3-ethylpiperidin-3-yl)ethanamine
CID 143578860
2-(1-methoxycycloheptyl)ethanamine
CID 83905895
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
(1-ethylcyclooctyl)methanamine
CID 80604065
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
CID 65305933
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine (CID 83818947) is 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine is CC(C)(C)CC1(CCN)CCCCC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine?
The InChIKey is AWUYLTMVLCCCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11-13(9-10-14)7-5-4-6-8-13/h4-11,14H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine?
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine is sourced from PubChem (CID 83818947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).