(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine

C11H17N — CID 143601060

IUPAC(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
SMILES[H]/N=C/C1CC(C)=C(C)CC1C=C
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/b12-7+
InChIKeyBSXQGKFBSRCDKB-KPKJPENVSA-N
MW163.26 g/mol
LogP3.18
Rot. Bonds2

About (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine

(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine (PubChem CID 143601060) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine.

Molecular Properties

Compound Name(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
PubChem CID143601060
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
SMILES[H]/N=C/C1CC(C)=C(C)CC1C=C
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/b12-7+
InChIKeyBSXQGKFBSRCDKB-KPKJPENVSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyldec-3-en-1-imine
CID 57110449
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
6-Ethylideneundecan-1-imine
CID 87825837
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
(8-But-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine
CID 89207572
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
5-Methyl-2-(2-methylbutan-2-yl)hex-4-en-1-imine
CID 89708391
3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The IUPAC name of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine (CID 143601060) is (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine.
What is the SMILES notation for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The canonical SMILES for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine is [H]/N=C/C1CC(C)=C(C)CC1C=C.
What is the InChIKey of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The InChIKey is BSXQGKFBSRCDKB-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-5-8(2)9(3)6-11(10)7-12/h4,7,10-12H,1,5-6H2,2-3H3/b12-7+.
What are the key properties of (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine is sourced from PubChem (CID 143601060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).