N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine

C23H29N — CID 153352276

IUPACN-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine
SMILESC=Cc1ccccc1/C(CC)=C(/CNC1=CC(C)C=C1C)C(=C)C
InChIInChI=1S/C23H29N/c1-7-19-11-9-10-12-21(19)20(8-2)22(16(3)4)15-24-23-14-17(5)13-18(23)6/h7,9-14,17,24H,1,3,8,15H2,2,4-6H3/b22-20-
InChIKeyBIZFJJDSNGTKGQ-XDOYNYLZSA-N
MW319.49 g/mol
LogP6.14
Rot. Bonds7

About N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine

N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 153352276) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID153352276
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC NameN-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine
SMILESC=Cc1ccccc1/C(CC)=C(/CNC1=CC(C)C=C1C)C(=C)C
InChIInChI=1S/C23H29N/c1-7-19-11-9-10-12-21(19)20(8-2)22(16(3)4)15-24-23-14-17(5)13-18(23)6/h7,9-14,17,24H,1,3,8,15H2,2,4-6H3/b22-20-
InChIKeyBIZFJJDSNGTKGQ-XDOYNYLZSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.14
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 N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine (CID 153352276) is N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine is C=Cc1ccccc1/C(CC)=C(/CNC1=CC(C)C=C1C)C(=C)C.
What is the InChIKey of N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is BIZFJJDSNGTKGQ-XDOYNYLZSA-N. The full InChI is InChI=1S/C23H29N/c1-7-19-11-9-10-12-21(19)20(8-2)22(16(3)4)15-24-23-14-17(5)13-18(23)6/h7,9-14,17,24H,1,3,8,15H2,2,4-6H3/b22-20-.
What are the key properties of N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine?
N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 319.49 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-ethenylphenyl)-2-prop-1-en-2-ylpent-2-enyl]-3,5-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 153352276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).