5-phenylhepta-1,6-dien-3-amine

C13H17N — CID 21390037

IUPAC5-phenylhepta-1,6-dien-3-amine
SMILESC=CC(N)CC(C=C)c1ccccc1
InChIInChI=1S/C13H17N/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h3-9,11,13H,1-2,10,14H2
InChIKeyFLAHJQOOWNWPJZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.86
Rot. Bonds5

About 5-phenylhepta-1,6-dien-3-amine

5-phenylhepta-1,6-dien-3-amine (PubChem CID 21390037) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-phenylhepta-1,6-dien-3-amine.

Molecular Properties

Compound Name5-phenylhepta-1,6-dien-3-amine
PubChem CID21390037
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-phenylhepta-1,6-dien-3-amine
SMILESC=CC(N)CC(C=C)c1ccccc1
InChIInChI=1S/C13H17N/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h3-9,11,13H,1-2,10,14H2
InChIKeyFLAHJQOOWNWPJZ-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-phenylhepta-1,6-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
diethyl 2-(2-phenylbut-3-enyl)propanedioate
CID 102386384
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
3-phenylpent-4-enenitrile
CID 14767512
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
triphenyl(2-phenylbut-3-enyl)stannane
CID 67812779
(3S)-3-phenylpent-4-enoic acid
CID 92981953
(2R)-1-phenylsulfanylbut-3-en-2-amine
CID 58800081
penta-1,4-dien-3-ylbenzene
CID 15879286
4-amino-1-phenoxyhex-5-en-2-ol
CID 70488948
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
4-phenylhex-5-enoate
CID 140706037

Frequently Asked Questions

What is the IUPAC name of 5-phenylhepta-1,6-dien-3-amine?
The IUPAC name of 5-phenylhepta-1,6-dien-3-amine (CID 21390037) is 5-phenylhepta-1,6-dien-3-amine.
What is the SMILES notation for 5-phenylhepta-1,6-dien-3-amine?
The canonical SMILES for 5-phenylhepta-1,6-dien-3-amine is C=CC(N)CC(C=C)c1ccccc1.
What is the InChIKey of 5-phenylhepta-1,6-dien-3-amine?
The InChIKey is FLAHJQOOWNWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h3-9,11,13H,1-2,10,14H2.
What are the key properties of 5-phenylhepta-1,6-dien-3-amine?
5-phenylhepta-1,6-dien-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylhepta-1,6-dien-3-amine is sourced from PubChem (CID 21390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).