(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine

C13H15N — CID 145315287

IUPAC(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C(\N)=C/C)/c1ccccc1
InChIInChI=1S/C13H15N/c1-3-8-12(13(14)4-2)11-9-6-5-7-10-11/h3-10H,1,14H2,2H3/b12-8-,13-4+
InChIKeyOKXOCGBAQFFSHJ-ZGTLABSISA-N
MW185.27 g/mol
LogP3.12
Rot. Bonds3

About (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine

(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine (PubChem CID 145315287) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
PubChem CID145315287
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C(\N)=C/C)/c1ccccc1
InChIInChI=1S/C13H15N/c1-3-8-12(13(14)4-2)11-9-6-5-7-10-11/h3-10H,1,14H2,2H3/b12-8-,13-4+
InChIKeyOKXOCGBAQFFSHJ-ZGTLABSISA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.12
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

(2E,4Z,6Z)-4-phenylocta-2,4,6-trien-3-amine
CID 167165568
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methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine
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4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
(E)-2-phenylbut-2-enethioamide
CID 158611292
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
(1Z)-1-phenylbuta-1,3-diene-1-thiol
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CID 10487466

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine (CID 145315287) is (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine is C=C/C=C(C(\N)=C/C)/c1ccccc1.
What is the InChIKey of (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine?
The InChIKey is OKXOCGBAQFFSHJ-ZGTLABSISA-N. The full InChI is InChI=1S/C13H15N/c1-3-8-12(13(14)4-2)11-9-6-5-7-10-11/h3-10H,1,14H2,2H3/b12-8-,13-4+.
What are the key properties of (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine?
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine has a molecular weight of 185.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 145315287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).