methane;2-propan-2-ylquinoline

C13H17N — CID 161334581

IUPACmethane;2-propan-2-ylquinoline
SMILESC.CC(C)c1ccc2ccccc2n1
InChIInChI=1S/C12H13N.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;/h3-9H,1-2H3;1H4
InChIKeyVLVYVYXFCSLASM-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.99
Rot. Bonds1

About methane;2-propan-2-ylquinoline

methane;2-propan-2-ylquinoline (PubChem CID 161334581) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is methane;2-propan-2-ylquinoline.

Molecular Properties

Compound Namemethane;2-propan-2-ylquinoline
PubChem CID161334581
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Namemethane;2-propan-2-ylquinoline
SMILESC.CC(C)c1ccc2ccccc2n1
InChIInChI=1S/C12H13N.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;/h3-9H,1-2H3;1H4
InChIKeyVLVYVYXFCSLASM-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methane;2-propan-2-ylquinoline with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-propan-2-ylquinoline
CID 142538504
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-(1-chloroethyl)quinoline
CID 14750485
4-propan-2-ylquinazoline;2-propan-2-ylquinoline
CID 160668104
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
amino(quinolin-2-yl)methanol
CID 154237779
7-methyl-2-propan-2-ylquinoline
CID 83527005
2-(1-azidoethyl)quinoline
CID 126509535
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylquinoline?
The IUPAC name of methane;2-propan-2-ylquinoline (CID 161334581) is methane;2-propan-2-ylquinoline.
What is the SMILES notation for methane;2-propan-2-ylquinoline?
The canonical SMILES for methane;2-propan-2-ylquinoline is C.CC(C)c1ccc2ccccc2n1.
What is the InChIKey of methane;2-propan-2-ylquinoline?
The InChIKey is VLVYVYXFCSLASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;/h3-9H,1-2H3;1H4.
What are the key properties of methane;2-propan-2-ylquinoline?
methane;2-propan-2-ylquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-ylquinoline is sourced from PubChem (CID 161334581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).