3-(2-methylpropyl)quinoline

C13H15N — CID 12072851

IUPAC3-(2-methylpropyl)quinoline
SMILESCC(C)Cc1cnc2ccccc2c1
InChIInChI=1S/C13H15N/c1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11/h3-6,8-10H,7H2,1-2H3
InChIKeyQALSUSJHAPMTEY-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.43
Rot. Bonds2

About 3-(2-methylpropyl)quinoline

3-(2-methylpropyl)quinoline (PubChem CID 12072851) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name3-(2-methylpropyl)quinoline
PubChem CID12072851
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(2-methylpropyl)quinoline
SMILESCC(C)Cc1cnc2ccccc2c1
InChIInChI=1S/C13H15N/c1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11/h3-6,8-10H,7H2,1-2H3
InChIKeyQALSUSJHAPMTEY-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
CID 159124512
3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine
CID 146414517
3-(2-methylpropyl)-1,10-phenanthroline
CID 174169966
2-quinolin-3-ylethanol
CID 53403774
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-ethylquinoline;quinoline
CID 174966721
3-(3,3-dimethylbutyl)quinoline
CID 58808300
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)quinoline?
The IUPAC name of 3-(2-methylpropyl)quinoline (CID 12072851) is 3-(2-methylpropyl)quinoline.
What is the SMILES notation for 3-(2-methylpropyl)quinoline?
The canonical SMILES for 3-(2-methylpropyl)quinoline is CC(C)Cc1cnc2ccccc2c1.
What is the InChIKey of 3-(2-methylpropyl)quinoline?
The InChIKey is QALSUSJHAPMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)quinoline?
3-(2-methylpropyl)quinoline has a molecular weight of 185.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)quinoline is sourced from PubChem (CID 12072851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).