N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine

C14H17N — CID 126661807

IUPACN-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
SMILESC=C(C)C(=C/C)/N=C(\C)c1ccccc1
InChIInChI=1S/C14H17N/c1-5-14(11(2)3)15-12(4)13-9-7-6-8-10-13/h5-10H,2H2,1,3-4H3/b14-5-,15-12+
InChIKeyWWYLFSFVRDZYFI-WIRLBKNSSA-N
MW199.30 g/mol
LogP3.98
Rot. Bonds3

About N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine

N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine (PubChem CID 126661807) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
PubChem CID126661807
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
SMILESC=C(C)C(=C/C)/N=C(\C)c1ccccc1
InChIInChI=1S/C14H17N/c1-5-14(11(2)3)15-12(4)13-9-7-6-8-10-13/h5-10H,2H2,1,3-4H3/b14-5-,15-12+
InChIKeyWWYLFSFVRDZYFI-WIRLBKNSSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.98
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

N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
CID 144989648
N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
1-(benzhydrylideneamino)ethylidenechromium
CID 11463699
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391
(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine
CID 126661353
N-[(2Z,4E,6Z,10E,12E)-11,13-dibromo-5-methyl-8,9-dimethylidenetetradeca-2,4,6,10,12-pentaen-6-yl]-1-phenylethanimine;ethane
CID 143096728
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine?
The IUPAC name of N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine (CID 126661807) is N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine.
What is the SMILES notation for N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine?
The canonical SMILES for N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine is C=C(C)C(=C/C)/N=C(\C)c1ccccc1.
What is the InChIKey of N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine?
The InChIKey is WWYLFSFVRDZYFI-WIRLBKNSSA-N. The full InChI is InChI=1S/C14H17N/c1-5-14(11(2)3)15-12(4)13-9-7-6-8-10-13/h5-10H,2H2,1,3-4H3/b14-5-,15-12+.
What are the key properties of N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine?
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine has a molecular weight of 199.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine is sourced from PubChem (CID 126661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).