1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine

C11H17N — CID 134484923

IUPAC1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine
SMILESC=CC1CC=CCC1C(=C)NC
InChIInChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-6,10-12H,1-2,7-8H2,3H3
InChIKeyNLOIINKNOVDHMG-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.49
Rot. Bonds3

About 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine

1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine (PubChem CID 134484923) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine
PubChem CID134484923
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine
SMILESC=CC1CC=CCC1C(=C)NC
InChIInChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-6,10-12H,1-2,7-8H2,3H3
InChIKeyNLOIINKNOVDHMG-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.49
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

2-Pyrroline, 2-cyclohexyl-
CID 19067922
1-[(1R)-cyclohex-3-en-1-yl]-N-methylmethanamine;hydrochloride
CID 177798572
1-[(1S)-cyclohex-3-en-1-yl]-N-methylmethanamine;hydrochloride
CID 177798581
1,4,4a,5,6,7-Hexahydroquinoline
CID 129880067
4-(3-fluoro-3-methylbutan-2-yl)-N-methylcyclohexa-1,5-dien-1-amine
CID 143631187
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
N-methyl-4-(trifluoromethyl)cyclohexen-1-amine
CID 156424034
(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine
CID 166648253
5-fluoro-N,3-dimethylcyclohexen-1-amine
CID 170185936
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
(Cyclohex-3-en-1-ylmethyl)(methyl)amine
CID 12361574
N-[(6-propylcyclohexa-2,4-dien-1-yl)methyl]propan-1-amine
CID 134855454

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine?
The IUPAC name of 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine (CID 134484923) is 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine.
What is the SMILES notation for 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine?
The canonical SMILES for 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine is C=CC1CC=CCC1C(=C)NC.
What is the InChIKey of 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine?
The InChIKey is NLOIINKNOVDHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h4-6,10-12H,1-2,7-8H2,3H3.
What are the key properties of 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine?
1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine has a molecular weight of 163.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine is sourced from PubChem (CID 134484923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).