1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C11H21N — CID 140985387

IUPAC1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC1CCC2CCNC(C)C2C1
InChIInChI=1S/C11H21N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h8-12H,3-7H2,1-2H3
InChIKeyHOCGMRKQHZLMRN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds

About 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 140985387) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID140985387
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC1CCC2CCNC(C)C2C1
InChIInChI=1S/C11H21N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h8-12H,3-7H2,1-2H3
InChIKeyHOCGMRKQHZLMRN-UHFFFAOYSA-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

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Related Compounds

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CID 70336035
4-(3-methylcyclopentyl)piperidine
CID 91329388
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
4-cyclopropyl-2-methylpiperidine
CID 82594092
(4R)-2,4-dimethylpiperidine
CID 144551274
1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 142208106
(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 167133847
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
ethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrole
CID 168995443
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 140985387) is 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is CC1CCC2CCNC(C)C2C1.
What is the InChIKey of 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is HOCGMRKQHZLMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h8-12H,3-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline 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 1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 140985387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).