(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine

C17H23N — CID 88534907

IUPAC(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
SMILESC=C/C(=C\C=C/N)C(CCCC)c1ccccc1
InChIInChI=1S/C17H23N/c1-3-5-13-17(15(4-2)12-9-14-18)16-10-7-6-8-11-16/h4,6-12,14,17H,2-3,5,13,18H2,1H3/b14-9-,15-12+
InChIKeySYVLGPSZTIHXKQ-MJDFHZQASA-N
MW241.38 g/mol
LogP4.55
Rot. Bonds7

About (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine

(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine (PubChem CID 88534907) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
PubChem CID88534907
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
SMILESC=C/C(=C\C=C/N)C(CCCC)c1ccccc1
InChIInChI=1S/C17H23N/c1-3-5-13-17(15(4-2)12-9-14-18)16-10-7-6-8-11-16/h4,6-12,14,17H,2-3,5,13,18H2,1H3/b14-9-,15-12+
InChIKeySYVLGPSZTIHXKQ-MJDFHZQASA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.55
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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oct-1-en-4-ylbenzene
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(5R)-7-phenyldec-9-en-5-ol
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CID 144579687
CID 144579687
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CID 89240017

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine (CID 88534907) is (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine is C=C/C(=C\C=C/N)C(CCCC)c1ccccc1.
What is the InChIKey of (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine?
The InChIKey is SYVLGPSZTIHXKQ-MJDFHZQASA-N. The full InChI is InChI=1S/C17H23N/c1-3-5-13-17(15(4-2)12-9-14-18)16-10-7-6-8-11-16/h4,6-12,14,17H,2-3,5,13,18H2,1H3/b14-9-,15-12+.
What are the key properties of (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine?
(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine is sourced from PubChem (CID 88534907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).