3-phenylpenta-3,4-dien-1-amine

C11H13N — CID 139950072

IUPAC3-phenylpenta-3,4-dien-1-amine
SMILESC=C=C(CCN)c1ccccc1
InChIInChI=1S/C11H13N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
InChIKeyUCIMOCOSDJHRCH-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.20
Rot. Bonds3

About 3-phenylpenta-3,4-dien-1-amine

3-phenylpenta-3,4-dien-1-amine (PubChem CID 139950072) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-phenylpenta-3,4-dien-1-amine.

Molecular Properties

Compound Name3-phenylpenta-3,4-dien-1-amine
PubChem CID139950072
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-phenylpenta-3,4-dien-1-amine
SMILESC=C=C(CCN)c1ccccc1
InChIInChI=1S/C11H13N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
InChIKeyUCIMOCOSDJHRCH-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpenta-3,4-dien-1-amine?
The IUPAC name of 3-phenylpenta-3,4-dien-1-amine (CID 139950072) is 3-phenylpenta-3,4-dien-1-amine.
What is the SMILES notation for 3-phenylpenta-3,4-dien-1-amine?
The canonical SMILES for 3-phenylpenta-3,4-dien-1-amine is C=C=C(CCN)c1ccccc1.
What is the InChIKey of 3-phenylpenta-3,4-dien-1-amine?
The InChIKey is UCIMOCOSDJHRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7H,1,8-9,12H2.
What are the key properties of 3-phenylpenta-3,4-dien-1-amine?
3-phenylpenta-3,4-dien-1-amine has a molecular weight of 159.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpenta-3,4-dien-1-amine is sourced from PubChem (CID 139950072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).