5-phenylhept-2-en-4-amine

C13H19N — CID 174938173

IUPAC5-phenylhept-2-en-4-amine
SMILESCC=CC(N)C(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h3,5-10,12-13H,4,14H2,1-2H3
InChIKeyZJUOPUDCPZTTQS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.08
Rot. Bonds4

About 5-phenylhept-2-en-4-amine

5-phenylhept-2-en-4-amine (PubChem CID 174938173) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-phenylhept-2-en-4-amine.

Molecular Properties

Compound Name5-phenylhept-2-en-4-amine
PubChem CID174938173
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-phenylhept-2-en-4-amine
SMILESCC=CC(N)C(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h3,5-10,12-13H,4,14H2,1-2H3
InChIKeyZJUOPUDCPZTTQS-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-phenylpent-3-en-1-amine
CID 131236812
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
3-methyl-5-phenylheptan-4-amine
CID 105017445
5-phenylhept-1-en-4-amine
CID 115814558
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
2-phenylpentane-1,3-diamine
CID 57298875
(2S)-3-phenylpentan-2-ol
CID 45048673
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
CID 101008842
CID 101008842
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of 5-phenylhept-2-en-4-amine?
The IUPAC name of 5-phenylhept-2-en-4-amine (CID 174938173) is 5-phenylhept-2-en-4-amine.
What is the SMILES notation for 5-phenylhept-2-en-4-amine?
The canonical SMILES for 5-phenylhept-2-en-4-amine is CC=CC(N)C(CC)c1ccccc1.
What is the InChIKey of 5-phenylhept-2-en-4-amine?
The InChIKey is ZJUOPUDCPZTTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h3,5-10,12-13H,4,14H2,1-2H3.
What are the key properties of 5-phenylhept-2-en-4-amine?
5-phenylhept-2-en-4-amine has a molecular weight of 189.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylhept-2-en-4-amine is sourced from PubChem (CID 174938173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).