1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole

C15H25N — CID 135138733

IUPAC1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole
SMILESC=c1ccc(=C)n1CCC(C)CC(C)CC
InChIInChI=1S/C15H25N/c1-6-12(2)11-13(3)9-10-16-14(4)7-8-15(16)5/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyRYKDAKLHFBORPH-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.77
Rot. Bonds6

About 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole

1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole (PubChem CID 135138733) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole.

Molecular Properties

Compound Name1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole
PubChem CID135138733
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole
SMILESC=c1ccc(=C)n1CCC(C)CC(C)CC
InChIInChI=1S/C15H25N/c1-6-12(2)11-13(3)9-10-16-14(4)7-8-15(16)5/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyRYKDAKLHFBORPH-UHFFFAOYSA-N
XLogP2.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole?
The IUPAC name of 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole (CID 135138733) is 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole.
What is the SMILES notation for 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole?
The canonical SMILES for 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole is C=c1ccc(=C)n1CCC(C)CC(C)CC.
What is the InChIKey of 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole?
The InChIKey is RYKDAKLHFBORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-12(2)11-13(3)9-10-16-14(4)7-8-15(16)5/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole?
1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole has a molecular weight of 219.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylheptyl)-2,5-dimethylidenepyrrole is sourced from PubChem (CID 135138733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).