4-benzylhepta-1,6-dien-4-amine

C14H19N — CID 15310873

IUPAC4-benzylhepta-1,6-dien-4-amine
SMILESC=CCC(N)(CC=C)Cc1ccccc1
InChIInChI=1S/C14H19N/c1-3-10-14(15,11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12,15H2
InChIKeyJHSOIHHHXFLWCI-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.08
Rot. Bonds6

About 4-benzylhepta-1,6-dien-4-amine

4-benzylhepta-1,6-dien-4-amine (PubChem CID 15310873) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-benzylhepta-1,6-dien-4-amine.

Molecular Properties

Compound Name4-benzylhepta-1,6-dien-4-amine
PubChem CID15310873
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-benzylhepta-1,6-dien-4-amine
SMILESC=CCC(N)(CC=C)Cc1ccccc1
InChIInChI=1S/C14H19N/c1-3-10-14(15,11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12,15H2
InChIKeyJHSOIHHHXFLWCI-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
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

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2-benzyl-1,1,1-trifluoropent-4-en-2-ol
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[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
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4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-benzylhepta-1,6-dien-4-amine?
The IUPAC name of 4-benzylhepta-1,6-dien-4-amine (CID 15310873) is 4-benzylhepta-1,6-dien-4-amine.
What is the SMILES notation for 4-benzylhepta-1,6-dien-4-amine?
The canonical SMILES for 4-benzylhepta-1,6-dien-4-amine is C=CCC(N)(CC=C)Cc1ccccc1.
What is the InChIKey of 4-benzylhepta-1,6-dien-4-amine?
The InChIKey is JHSOIHHHXFLWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-10-14(15,11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12,15H2.
What are the key properties of 4-benzylhepta-1,6-dien-4-amine?
4-benzylhepta-1,6-dien-4-amine has a molecular weight of 201.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylhepta-1,6-dien-4-amine is sourced from PubChem (CID 15310873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).