(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine

C23H27N — CID 144512574

IUPAC(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine
SMILESCC(=C/Cc1ccccc1C1(C)CC1C)/C(=C\N)c1ccccc1
InChIInChI=1S/C23H27N/c1-17(21(16-24)19-9-5-4-6-10-19)13-14-20-11-7-8-12-22(20)23(3)15-18(23)2/h4-13,16,18H,14-15,24H2,1-3H3/b17-13-,21-16+
InChIKeyXOJYOIYTERUCQR-KMGBFVISSA-N
MW317.48 g/mol
LogP5.47
Rot. Bonds5

About (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine

(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine (PubChem CID 144512574) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine
PubChem CID144512574
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine
SMILESCC(=C/Cc1ccccc1C1(C)CC1C)/C(=C\N)c1ccccc1
InChIInChI=1S/C23H27N/c1-17(21(16-24)19-9-5-4-6-10-19)13-14-20-11-7-8-12-22(20)23(3)15-18(23)2/h4-13,16,18H,14-15,24H2,1-3H3/b17-13-,21-16+
InChIKeyXOJYOIYTERUCQR-KMGBFVISSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine (CID 144512574) is (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine is CC(=C/Cc1ccccc1C1(C)CC1C)/C(=C\N)c1ccccc1.
What is the InChIKey of (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine?
The InChIKey is XOJYOIYTERUCQR-KMGBFVISSA-N. The full InChI is InChI=1S/C23H27N/c1-17(21(16-24)19-9-5-4-6-10-19)13-14-20-11-7-8-12-22(20)23(3)15-18(23)2/h4-13,16,18H,14-15,24H2,1-3H3/b17-13-,21-16+.
What are the key properties of (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine?
(1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine has a molecular weight of 317.48 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-[2-(1,2-dimethylcyclopropyl)phenyl]-3-methyl-2-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144512574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).