(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine

C16H20N2 — CID 144942988

IUPAC(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine
SMILESC/C=C\C=N\c1ccccc1/C(N)=C/C=C\CC
InChIInChI=1S/C16H20N2/c1-3-5-7-11-15(17)14-10-8-9-12-16(14)18-13-6-4-2/h4-13H,3,17H2,1-2H3/b6-4-,7-5-,15-11-,18-13+
InChIKeyYFQTYQPVZQFANU-ZOAPHIAASA-N
MW240.35 g/mol
LogP4.23
Rot. Bonds5

About (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine

(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine (PubChem CID 144942988) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine
PubChem CID144942988
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine
SMILESC/C=C\C=N\c1ccccc1/C(N)=C/C=C\CC
InChIInChI=1S/C16H20N2/c1-3-5-7-11-15(17)14-10-8-9-12-16(14)18-13-6-4-2/h4-13H,3,17H2,1-2H3/b6-4-,7-5-,15-11-,18-13+
InChIKeyYFQTYQPVZQFANU-ZOAPHIAASA-N
XLogP4.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine with MolForge

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Related Compounds

2-[[(E)-but-2-enylidene]amino]phenol
CID 24796549
2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 165346255
2-[[(2E,4E,6E)-deca-2,4,6-trienylidene]amino]phenol
CID 142884962
diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
CID 144560706
[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene
CID 146210957
2-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 969228
1-(2-nitrophenyl)but-1-en-1-amine
CID 174514622
2-(benzylideneamino)benzamide
CID 794805
2-hydroxybenzoic acid;(E)-pent-2-ene
CID 118482881
2-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]benzaldehyde
CID 145041061
2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681119
1-(diaminomethylidene)-2-(2-propanoylphenyl)guanidine
CID 168602691

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine (CID 144942988) is (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine is C/C=C\C=N\c1ccccc1/C(N)=C/C=C\CC.
What is the InChIKey of (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine?
The InChIKey is YFQTYQPVZQFANU-ZOAPHIAASA-N. The full InChI is InChI=1S/C16H20N2/c1-3-5-7-11-15(17)14-10-8-9-12-16(14)18-13-6-4-2/h4-13H,3,17H2,1-2H3/b6-4-,7-5-,15-11-,18-13+.
What are the key properties of (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine?
(1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine has a molecular weight of 240.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[2-[[(Z)-but-2-enylidene]amino]phenyl]hexa-1,3-dien-1-amine is sourced from PubChem (CID 144942988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).