[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine

C13H27N — CID 81009989

IUPAC[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CC(C)C)C1
InChIInChI=1S/C13H27N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeyZZEGFNMBMPOYQR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.43
Rot. Bonds4

About [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine

[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine (PubChem CID 81009989) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
PubChem CID81009989
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CC(C)C)C1
InChIInChI=1S/C13H27N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeyZZEGFNMBMPOYQR-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine
CID 81012762
[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
CID 81012662
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
CID 43530010
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
CID 107767159
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine (CID 81009989) is [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine is CCC1CCC(CN)C(CC(C)C)C1.
What is the InChIKey of [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine?
The InChIKey is ZZEGFNMBMPOYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h10-13H,4-9,14H2,1-3H3.
What are the key properties of [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine?
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine is sourced from PubChem (CID 81009989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).