3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine

C15H22N2 — CID 123671177

IUPAC3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine
SMILESCCC(C)(C)CCc1cn(C)c2ccncc12
InChIInChI=1S/C15H22N2/c1-5-15(2,3)8-6-12-11-17(4)14-7-9-16-10-13(12)14/h7,9-11H,5-6,8H2,1-4H3
InChIKeyAGSUDXMLNFSPJY-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.94
Rot. Bonds4

About 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine

3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 123671177) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine
PubChem CID123671177
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine
SMILESCCC(C)(C)CCc1cn(C)c2ccncc12
InChIInChI=1S/C15H22N2/c1-5-15(2,3)8-6-12-11-17(4)14-7-9-16-10-13(12)14/h7,9-11H,5-6,8H2,1-4H3
InChIKeyAGSUDXMLNFSPJY-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine (CID 123671177) is 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine is CCC(C)(C)CCc1cn(C)c2ccncc12.
What is the InChIKey of 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is AGSUDXMLNFSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-15(2,3)8-6-12-11-17(4)14-7-9-16-10-13(12)14/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine?
3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 230.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentyl)-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123671177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).