4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C10H19N — CID 524017

IUPAC4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCNC2CCCCC12
InChIInChI=1S/C10H19N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3
InChIKeyWPBVRISDNZUAEU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

About 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 524017) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID524017
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCNC2CCCCC12
InChIInChI=1S/C10H19N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3
InChIKeyWPBVRISDNZUAEU-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

(3S,3aR,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 55287432
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
(2R,5S)-2,4-dimethyl-5-piperidin-2-ylpiperidine
CID 166924001
(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 129413165
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
CID 83915881
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 524017) is 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CCNC2CCCCC12.
What is the InChIKey of 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is WPBVRISDNZUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 153.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 524017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).