(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine

C16H21N — CID 144542813

IUPAC(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
SMILESC=CNC(=C)/C=C(\C)c1cccc(CCC)c1
InChIInChI=1S/C16H21N/c1-5-8-15-9-7-10-16(12-15)13(3)11-14(4)17-6-2/h6-7,9-12,17H,2,4-5,8H2,1,3H3/b13-11+
InChIKeyIPQWOARDLDPABP-ACCUITESSA-N
MW227.35 g/mol
LogP4.29
Rot. Bonds6

About (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine

(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine (PubChem CID 144542813) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
PubChem CID144542813
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
SMILESC=CNC(=C)/C=C(\C)c1cccc(CCC)c1
InChIInChI=1S/C16H21N/c1-5-8-15-9-7-10-16(12-15)13(3)11-14(4)17-6-2/h6-7,9-12,17H,2,4-5,8H2,1,3H3/b13-11+
InChIKeyIPQWOARDLDPABP-ACCUITESSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
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 (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine (CID 144542813) is (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine is C=CNC(=C)/C=C(\C)c1cccc(CCC)c1.
What is the InChIKey of (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine?
The InChIKey is IPQWOARDLDPABP-ACCUITESSA-N. The full InChI is InChI=1S/C16H21N/c1-5-8-15-9-7-10-16(12-15)13(3)11-14(4)17-6-2/h6-7,9-12,17H,2,4-5,8H2,1,3H3/b13-11+.
What are the key properties of (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine?
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine has a molecular weight of 227.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 144542813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).