N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine

C12H15N — CID 90931785

IUPACN-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC(C(C)C)=CC1=C
InChIInChI=1S/C12H15N/c1-5-13-12-7-6-11(9(2)3)8-10(12)4/h5-9H,1,4H2,2-3H3/b13-12+
InChIKeyHIRQXXTVEDWIAD-OUKQBFOZSA-N
MW173.26 g/mol
LogP3.28
Rot. Bonds2

About N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine

N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 90931785) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID90931785
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC(C(C)C)=CC1=C
InChIInChI=1S/C12H15N/c1-5-13-12-7-6-11(9(2)3)8-10(12)4/h5-9H,1,4H2,2-3H3/b13-12+
InChIKeyHIRQXXTVEDWIAD-OUKQBFOZSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
3aH-indole
CID 20627139
5H-Indole
CID 20712154
Dibenz[b,f]azocine
CID 23633137
Methyl(ethyl) 3h azepine
CID 91189360
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine (CID 90931785) is N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine is C=C/N=C1\C=CC(C(C)C)=CC1=C.
What is the InChIKey of N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is HIRQXXTVEDWIAD-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15N/c1-5-13-12-7-6-11(9(2)3)8-10(12)4/h5-9H,1,4H2,2-3H3/b13-12+.
What are the key properties of N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine?
N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-methylidene-4-propan-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 90931785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).