2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole

C15H27N — CID 139441413

IUPAC2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole
SMILESCCC(C)(CC(C)(C)C)n1c(C)ccc1C
InChIInChI=1S/C15H27N/c1-8-15(7,11-14(4,5)6)16-12(2)9-10-13(16)3/h9-10H,8,11H2,1-7H3
InChIKeyGGMFQBJKXHERIW-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.67
Rot. Bonds3

About 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole

2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole (PubChem CID 139441413) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole
PubChem CID139441413
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole
SMILESCCC(C)(CC(C)(C)C)n1c(C)ccc1C
InChIInChI=1S/C15H27N/c1-8-15(7,11-14(4,5)6)16-12(2)9-10-13(16)3/h9-10H,8,11H2,1-7H3
InChIKeyGGMFQBJKXHERIW-UHFFFAOYSA-N
XLogP4.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole (CID 139441413) is 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole is CCC(C)(CC(C)(C)C)n1c(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole?
The InChIKey is GGMFQBJKXHERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-8-15(7,11-14(4,5)6)16-12(2)9-10-13(16)3/h9-10H,8,11H2,1-7H3.
What are the key properties of 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole?
2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole is sourced from PubChem (CID 139441413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).