(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine

C15H19N — CID 170153463

IUPAC(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine
SMILESC=C/C(=C\N)CC(=C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19N/c1-5-14(10-16)8-13(4)15-7-6-11(2)12(3)9-15/h5-7,9-10H,1,4,8,16H2,2-3H3/b14-10+
InChIKeyDVUXXZIAMCPDCQ-GXDHUFHOSA-N
MW213.32 g/mol
LogP3.74
Rot. Bonds4

About (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine

(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine (PubChem CID 170153463) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine
PubChem CID170153463
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine
SMILESC=C/C(=C\N)CC(=C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19N/c1-5-14(10-16)8-13(4)15-7-6-11(2)12(3)9-15/h5-7,9-10H,1,4,8,16H2,2-3H3/b14-10+
InChIKeyDVUXXZIAMCPDCQ-GXDHUFHOSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(3,4-dimethylphenyl)prop-2-enamide
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methyl N-[1-(3,4-dimethylphenyl)ethenyl]ethanimidothioate
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CID 91125880
CID 91125880
N-[(Z)-1-(3,4-dimethylphenyl)prop-1-enyl]-N-[1-(methylamino)ethenyl]thiohydroxylamine
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1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
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4-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-enylamino)butanoic acid
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4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene
CID 144517819

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine (CID 170153463) is (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine is C=C/C(=C\N)CC(=C)c1ccc(C)c(C)c1.
What is the InChIKey of (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine?
The InChIKey is DVUXXZIAMCPDCQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H19N/c1-5-14(10-16)8-13(4)15-7-6-11(2)12(3)9-15/h5-7,9-10H,1,4,8,16H2,2-3H3/b14-10+.
What are the key properties of (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine?
(1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-(3,4-dimethylphenyl)-2-ethenylpenta-1,4-dien-1-amine is sourced from PubChem (CID 170153463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).