(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine

C14H17NO — CID 174328933

IUPAC(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C=N\Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO/c1-4-12(2)9-10-15-11-13-5-7-14(16-3)8-6-13/h4-10H,1,11H2,2-3H3/b12-9-,15-10+
InChIKeyYLRLGCCLJVPJOI-LURFLBPHSA-N
MW215.30 g/mol
LogP3.40
Rot. Bonds5

About (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine

(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine (PubChem CID 174328933) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
PubChem CID174328933
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C=N\Cc1ccc(OC)cc1
InChIInChI=1S/C14H17NO/c1-4-12(2)9-10-15-11-13-5-7-14(16-3)8-6-13/h4-10H,1,11H2,2-3H3/b12-9-,15-10+
InChIKeyYLRLGCCLJVPJOI-LURFLBPHSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735
N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
CID 142987862
N-[(4-methoxyphenyl)methyl]but-2-yn-1-imine
CID 101448432
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
CID 7119778
1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
CID 143140381
4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol
CID 126023499
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
(4-methoxyphenyl)methanol
CID 7738
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
CID 2806894

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine (CID 174328933) is (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine is C=C/C(C)=C\C=N\Cc1ccc(OC)cc1.
What is the InChIKey of (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine?
The InChIKey is YLRLGCCLJVPJOI-LURFLBPHSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-12(2)9-10-15-11-13-5-7-14(16-3)8-6-13/h4-10H,1,11H2,2-3H3/b12-9-,15-10+.
What are the key properties of (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine?
(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine has a molecular weight of 215.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 174328933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).