(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C11H21N — CID 102173535

IUPAC(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC[C@@H]2[C@H](C1)NCC[C@@H]2C
InChIInChI=1S/C11H21N/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h8-12H,3-7H2,1-2H3/t8?,9-,10-,11-/m0/s1
InChIKeyKALWKFWAIFTWEW-KQFSYOIOSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds

About (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 102173535) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID102173535
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC[C@@H]2[C@H](C1)NCC[C@@H]2C
InChIInChI=1S/C11H21N/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h8-12H,3-7H2,1-2H3/t8?,9-,10-,11-/m0/s1
InChIKeyKALWKFWAIFTWEW-KQFSYOIOSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 129360669
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
(4R)-2,4-dimethylpiperidine
CID 144551274
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
CID 83915124
(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
CID 170917898
2-chloro-4-methylpiperidine
CID 22714654
4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 83914466
1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 140985387
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417

Frequently Asked Questions

What is the IUPAC name of (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 102173535) is (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CC[C@@H]2[C@H](C1)NCC[C@@H]2C.
What is the InChIKey of (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is KALWKFWAIFTWEW-KQFSYOIOSA-N. The full InChI is InChI=1S/C11H21N/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h8-12H,3-7H2,1-2H3/t8?,9-,10-,11-/m0/s1.
What are the key properties of (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 167.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 102173535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).