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

C14H27N — CID 81012662

IUPAC[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
SMILESC=C(CC)CC1CC(CC)CCC1CN
InChIInChI=1S/C14H27N/c1-4-11(3)8-14-9-12(5-2)6-7-13(14)10-15/h12-14H,3-10,15H2,1-2H3
InChIKeyYHUGALDUOODJJN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.74
Rot. Bonds5

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

[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine (PubChem CID 81012662) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
PubChem CID81012662
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
SMILESC=C(CC)CC1CC(CC)CCC1CN
InChIInChI=1S/C14H27N/c1-4-11(3)8-14-9-12(5-2)6-7-13(14)10-15/h12-14H,3-10,15H2,1-2H3
InChIKeyYHUGALDUOODJJN-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine
CID 81012762
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
CID 81011756
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
(2-ethylcyclobutyl)methanamine
CID 58519219
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine (CID 81012662) is [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine is C=C(CC)CC1CC(CC)CCC1CN.
What is the InChIKey of [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The InChIKey is YHUGALDUOODJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-11(3)8-14-9-12(5-2)6-7-13(14)10-15/h12-14H,3-10,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine has a molecular weight of 209.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).