N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine

C13H15N — CID 156852680

IUPACN-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(C)=C(/Cc1ccccc1)N=C
InChIInChI=1S/C13H15N/c1-4-11(2)13(14-3)10-12-8-6-5-7-9-12/h4-9H,1,3,10H2,2H3/b13-11-
InChIKeyFXNFGELLBYYKQP-QBFSEMIESA-N
MW185.27 g/mol
LogP3.39
Rot. Bonds4

About N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine

N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine (PubChem CID 156852680) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
PubChem CID156852680
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(C)=C(/Cc1ccccc1)N=C
InChIInChI=1S/C13H15N/c1-4-11(2)13(14-3)10-12-8-6-5-7-9-12/h4-9H,1,3,10H2,2H3/b13-11-
InChIKeyFXNFGELLBYYKQP-QBFSEMIESA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.39
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

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
2,3-bis(ethenyl)penta-2,4-dienylbenzene
CID 142535288
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565
(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine
CID 134240579
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
(3Z)-4-benzylhexa-1,3,5-trien-2-ol
CID 144855364
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene
CID 172997253
3-methyl-4-phenylbut-2-enoic acid
CID 22414

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine (CID 156852680) is N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine is C=C/C(C)=C(/Cc1ccccc1)N=C.
What is the InChIKey of N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is FXNFGELLBYYKQP-QBFSEMIESA-N. The full InChI is InChI=1S/C13H15N/c1-4-11(2)13(14-3)10-12-8-6-5-7-9-12/h4-9H,1,3,10H2,2H3/b13-11-.
What are the key properties of N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine has a molecular weight of 185.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 156852680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).