2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline

C13H19N — CID 91494112

IUPAC2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1C=CC2=NC(C3CC3)CCC2C1
InChIInChI=1S/C13H19N/c1-9-2-6-13-11(8-9)5-7-12(14-13)10-3-4-10/h2,6,9-12H,3-5,7-8H2,1H3
InChIKeyLCKCDXZBALKQHN-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.21
Rot. Bonds1

About 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline

2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline (PubChem CID 91494112) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline
PubChem CID91494112
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1C=CC2=NC(C3CC3)CCC2C1
InChIInChI=1S/C13H19N/c1-9-2-6-13-11(8-9)5-7-12(14-13)10-3-4-10/h2,6,9-12H,3-5,7-8H2,1H3
InChIKeyLCKCDXZBALKQHN-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The IUPAC name of 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline (CID 91494112) is 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline.
What is the SMILES notation for 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The canonical SMILES for 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline is CC1C=CC2=NC(C3CC3)CCC2C1.
What is the InChIKey of 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The InChIKey is LCKCDXZBALKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-2-6-13-11(8-9)5-7-12(14-13)10-3-4-10/h2,6,9-12H,3-5,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline is sourced from PubChem (CID 91494112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).