[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine

C13H25N — CID 81012762

IUPAC[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine
SMILESC=C(C)CC1CC(CC)CCC1CN
InChIInChI=1S/C13H25N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h11-13H,2,4-9,14H2,1,3H3
InChIKeyCKSACROWXJXRQI-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds4

About [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine

[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine (PubChem CID 81012762) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine
PubChem CID81012762
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine
SMILESC=C(C)CC1CC(CC)CCC1CN
InChIInChI=1S/C13H25N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h11-13H,2,4-9,14H2,1,3H3
InChIKeyCKSACROWXJXRQI-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
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-methylidenebutyl)cyclohexyl]methanamine
CID 81012662
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
(2-ethylcyclobutyl)methanamine
CID 58519219
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine (CID 81012762) is [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine is C=C(C)CC1CC(CC)CCC1CN.
What is the InChIKey of [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine?
The InChIKey is CKSACROWXJXRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11-5-6-12(9-14)13(8-11)7-10(2)3/h11-13H,2,4-9,14H2,1,3H3.
What are the key properties of [4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine?
[4-ethyl-2-(2-methylprop-2-enyl)cyclohexyl]methanamine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 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-methylprop-2-enyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).