3,4-bis(ethenyl)-N-methylcyclohexan-1-amine

C11H19N — CID 90697914

IUPAC3,4-bis(ethenyl)-N-methylcyclohexan-1-amine
SMILESC=CC1CCC(NC)CC1C=C
InChIInChI=1S/C11H19N/c1-4-9-6-7-11(12-3)8-10(9)5-2/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyVERLXSVEZQISQZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.36
Rot. Bonds3

About 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine

3,4-bis(ethenyl)-N-methylcyclohexan-1-amine (PubChem CID 90697914) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3,4-bis(ethenyl)-N-methylcyclohexan-1-amine
PubChem CID90697914
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,4-bis(ethenyl)-N-methylcyclohexan-1-amine
SMILESC=CC1CCC(NC)CC1C=C
InChIInChI=1S/C11H19N/c1-4-9-6-7-11(12-3)8-10(9)5-2/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyVERLXSVEZQISQZ-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.36
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

cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207
N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-amine
CID 85614646
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108110
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108454
1-(4,4-difluorocyclohexyl)-N-methylbut-3-en-1-amine
CID 105108535
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153079
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153505
1-(4,4-difluorocyclohexyl)-N-methylpent-4-en-1-amine
CID 105153533
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161167
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161339

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine (CID 90697914) is 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine is C=CC1CCC(NC)CC1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine?
The InChIKey is VERLXSVEZQISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-9-6-7-11(12-3)8-10(9)5-2/h4-5,9-12H,1-2,6-8H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine?
3,4-bis(ethenyl)-N-methylcyclohexan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 90697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).