[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine

C15H31N — CID 65401872

IUPAC[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
SMILESCCCC(C)CC1(CN)CCCC(CC)C1
InChIInChI=1S/C15H31N/c1-4-7-13(3)10-15(12-16)9-6-8-14(5-2)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeySMWVPFWJAGSNHK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.36
Rot. Bonds6

About [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine

[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine (PubChem CID 65401872) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
PubChem CID65401872
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
SMILESCCCC(C)CC1(CN)CCCC(CC)C1
InChIInChI=1S/C15H31N/c1-4-7-13(3)10-15(12-16)9-6-8-14(5-2)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeySMWVPFWJAGSNHK-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
4-methyl-1-(2-methylpentyl)cycloheptan-1-amine
CID 65080308
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65400454

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine?
The IUPAC name of [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine (CID 65401872) is [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine?
The canonical SMILES for [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine is CCCC(C)CC1(CN)CCCC(CC)C1.
What is the InChIKey of [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine?
The InChIKey is SMWVPFWJAGSNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-13(3)10-15(12-16)9-6-8-14(5-2)11-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine?
[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine has a molecular weight of 225.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine is sourced from PubChem (CID 65401872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).