[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine

C13H27N — CID 82934663

IUPAC[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
SMILESCCC(CC)CC1(CN)CCC(C)C1
InChIInChI=1S/C13H27N/c1-4-12(5-2)9-13(10-14)7-6-11(3)8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyADZGWLZDOCHTAF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds5

About [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine

[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine (PubChem CID 82934663) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
PubChem CID82934663
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
SMILESCCC(CC)CC1(CN)CCC(C)C1
InChIInChI=1S/C13H27N/c1-4-12(5-2)9-13(10-14)7-6-11(3)8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyADZGWLZDOCHTAF-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
CID 65403298
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 87828338
1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
CID 82919408
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116627826
1-(2-ethylbutyl)-1-methoxy-4-methylcyclohexane
CID 71050907

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine (CID 82934663) is [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine is CCC(CC)CC1(CN)CCC(C)C1.
What is the InChIKey of [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine?
The InChIKey is ADZGWLZDOCHTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-12(5-2)9-13(10-14)7-6-11(3)8-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine?
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 82934663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).