1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine

C18H23N — CID 87493183

IUPAC1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine
SMILES[H]/N=C(\CCCC)c1ccccc1C1=C(C)C=C(C)C1
InChIInChI=1S/C18H23N/c1-4-5-10-18(19)16-9-7-6-8-15(16)17-12-13(2)11-14(17)3/h6-9,11,19H,4-5,10,12H2,1-3H3/b19-18+
InChIKeyAGJNPHKODATJEM-VHEBQXMUSA-N
MW253.39 g/mol
LogP5.37
Rot. Bonds5

About 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine

1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine (PubChem CID 87493183) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine
PubChem CID87493183
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine
SMILES[H]/N=C(\CCCC)c1ccccc1C1=C(C)C=C(C)C1
InChIInChI=1S/C18H23N/c1-4-5-10-18(19)16-9-7-6-8-15(16)17-12-13(2)11-14(17)3/h6-9,11,19H,4-5,10,12H2,1-3H3/b19-18+
InChIKeyAGJNPHKODATJEM-VHEBQXMUSA-N
XLogP5.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine?
The IUPAC name of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine (CID 87493183) is 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine.
What is the SMILES notation for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine?
The canonical SMILES for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine is [H]/N=C(\CCCC)c1ccccc1C1=C(C)C=C(C)C1.
What is the InChIKey of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine?
The InChIKey is AGJNPHKODATJEM-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-10-18(19)16-9-7-6-8-15(16)17-12-13(2)11-14(17)3/h6-9,11,19H,4-5,10,12H2,1-3H3/b19-18+.
What are the key properties of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine?
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine has a molecular weight of 253.39 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]pentan-1-imine is sourced from PubChem (CID 87493183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).