(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine

C9H13N — CID 143833244

IUPAC(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(C)\C(C)=N\C=C
InChIInChI=1S/C9H13N/c1-5-7-8(3)9(4)10-6-2/h5-7H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyXMADVDMBOVBKDI-UQGDGPGGSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine

(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine (PubChem CID 143833244) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
PubChem CID143833244
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(C)\C(C)=N\C=C
InChIInChI=1S/C9H13N/c1-5-7-8(3)9(4)10-6-2/h5-7H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyXMADVDMBOVBKDI-UQGDGPGGSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
2-methyl-3H-azepine
CID 23594836
Dibenz[b,f]azocine
CID 23633137
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
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
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
CID 170081889

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine (CID 143833244) is (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine is C=C/C=C(C)\C(C)=N\C=C.
What is the InChIKey of (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The InChIKey is XMADVDMBOVBKDI-UQGDGPGGSA-N. The full InChI is InChI=1S/C9H13N/c1-5-7-8(3)9(4)10-6-2/h5-7H,1-2H2,3-4H3/b8-7-,10-9+.
What are the key properties of (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 143833244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).