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

C13H23N — CID 143601059

IUPACethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
SMILESCC.[H]/N=C/C1CC(C)=C(C)CC1C=C
InChIInChI=1S/C11H17N.C2H6/c1-4-10-5-8(2)9(3)6-11(10)7-12;1-2/h4,7,10-12H,1,5-6H2,2-3H3;1-2H3/b12-7+;
InChIKeyDSGRUFDFXDCNAE-RRAJOLSVSA-N
MW193.33 g/mol
LogP4.21
Rot. Bonds2

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

ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine (PubChem CID 143601059) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine.

Molecular Properties

Compound Nameethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
PubChem CID143601059
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
SMILESCC.[H]/N=C/C1CC(C)=C(C)CC1C=C
InChIInChI=1S/C11H17N.C2H6/c1-4-10-5-8(2)9(3)6-11(10)7-12;1-2/h4,7,10-12H,1,5-6H2,2-3H3;1-2H3/b12-7+;
InChIKeyDSGRUFDFXDCNAE-RRAJOLSVSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.21
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 ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The IUPAC name of ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine (CID 143601059) is ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine.
What is the SMILES notation for ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The canonical SMILES for ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine is CC.[H]/N=C/C1CC(C)=C(C)CC1C=C.
What is the InChIKey of ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
The InChIKey is DSGRUFDFXDCNAE-RRAJOLSVSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-4-10-5-8(2)9(3)6-11(10)7-12;1-2/h4,7,10-12H,1,5-6H2,2-3H3;1-2H3/b12-7+;.
What are the key properties of ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine?
ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine is sourced from PubChem (CID 143601059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).