(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine

C15H19N — CID 145086695

IUPAC(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)c1cccc(C(=C)C)c1
InChIInChI=1S/C15H19N/c1-6-13(11-16(4)5)15-9-7-8-14(10-15)12(2)3/h6-11H,1-2H2,3-5H3/b13-11+
InChIKeyOMHWQXGZTAKGDT-ACCUITESSA-N
MW213.32 g/mol
LogP3.81
Rot. Bonds4

About (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine

(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine (PubChem CID 145086695) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine
PubChem CID145086695
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)c1cccc(C(=C)C)c1
InChIInChI=1S/C15H19N/c1-6-13(11-16(4)5)15-9-7-8-14(10-15)12(2)3/h6-11H,1-2H2,3-5H3/b13-11+
InChIKeyOMHWQXGZTAKGDT-ACCUITESSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine (CID 145086695) is (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine is C=C/C(=C\N(C)C)c1cccc(C(=C)C)c1.
What is the InChIKey of (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine?
The InChIKey is OMHWQXGZTAKGDT-ACCUITESSA-N. The full InChI is InChI=1S/C15H19N/c1-6-13(11-16(4)5)15-9-7-8-14(10-15)12(2)3/h6-11H,1-2H2,3-5H3/b13-11+.
What are the key properties of (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine?
(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 145086695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).