(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine

C19H21N — CID 145274973

IUPAC(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)N)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21N/c1-3-16(14-13-15(2)20)18-11-7-8-12-19(18)17-9-5-4-6-10-17/h3-15H,20H2,1-2H3/b14-13-,16-3+
InChIKeyYKIAFOAPYSUNMU-ZVBUOUDBSA-N
MW263.38 g/mol
LogP4.66
Rot. Bonds4

About (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine

(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine (PubChem CID 145274973) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
PubChem CID145274973
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)N)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21N/c1-3-16(14-13-15(2)20)18-11-7-8-12-19(18)17-9-5-4-6-10-17/h3-15H,20H2,1-2H3/b14-13-,16-3+
InChIKeyYKIAFOAPYSUNMU-ZVBUOUDBSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.66
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

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
CID 174100337
[amino-(2-phenylphenyl)methylidene]azanium
CID 6346948
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
CID 23436479
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
CID 144661693
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
1-(4-bromobuta-2,3-dien-2-yl)-2-phenylbenzene
CID 88812919
1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene
CID 143742639

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine (CID 145274973) is (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine is C/C=C(\C=C/C(C)N)c1ccccc1-c1ccccc1.
What is the InChIKey of (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine?
The InChIKey is YKIAFOAPYSUNMU-ZVBUOUDBSA-N. The full InChI is InChI=1S/C19H21N/c1-3-16(14-13-15(2)20)18-11-7-8-12-19(18)17-9-5-4-6-10-17/h3-15H,20H2,1-2H3/b14-13-,16-3+.
What are the key properties of (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine?
(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine has a molecular weight of 263.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine is sourced from PubChem (CID 145274973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).