6-phenylhexa-2,3-dien-1-amine

C12H15N — CID 86252845

IUPAC6-phenylhexa-2,3-dien-1-amine
SMILESNCC=C=CCCc1ccccc1
InChIInChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1,3,5-7,9-10H,4,8,11,13H2
InChIKeyZPWCQWMHVFTZKG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.29
Rot. Bonds4

About 6-phenylhexa-2,3-dien-1-amine

6-phenylhexa-2,3-dien-1-amine (PubChem CID 86252845) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-phenylhexa-2,3-dien-1-amine.

Molecular Properties

Compound Name6-phenylhexa-2,3-dien-1-amine
PubChem CID86252845
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-phenylhexa-2,3-dien-1-amine
SMILESNCC=C=CCCc1ccccc1
InChIInChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1,3,5-7,9-10H,4,8,11,13H2
InChIKeyZPWCQWMHVFTZKG-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenylhexa-2,3-dien-1-amine?
The IUPAC name of 6-phenylhexa-2,3-dien-1-amine (CID 86252845) is 6-phenylhexa-2,3-dien-1-amine.
What is the SMILES notation for 6-phenylhexa-2,3-dien-1-amine?
The canonical SMILES for 6-phenylhexa-2,3-dien-1-amine is NCC=C=CCCc1ccccc1.
What is the InChIKey of 6-phenylhexa-2,3-dien-1-amine?
The InChIKey is ZPWCQWMHVFTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1,3,5-7,9-10H,4,8,11,13H2.
What are the key properties of 6-phenylhexa-2,3-dien-1-amine?
6-phenylhexa-2,3-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexa-2,3-dien-1-amine is sourced from PubChem (CID 86252845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).