(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C10H19N — CID 54107181

IUPAC(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC[C@@H]1CC2CCCCC2CN1
InChIInChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h8-11H,2-7H2,1H3/t8-,9?,10?/m1/s1
InChIKeyNEOJGWWKIFBTJR-XNWIYYODSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

About (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 54107181) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID54107181
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC[C@@H]1CC2CCCCC2CN1
InChIInChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h8-11H,2-7H2,1H3/t8-,9?,10?/m1/s1
InChIKeyNEOJGWWKIFBTJR-XNWIYYODSA-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

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Related Compounds

Decahydroquinoline
CID 92911
Decahydroisoquinoline
CID 97812
Quinoline, decahydro-, (4aR,8aS)-rel-
CID 66078
rel-(4aR,8aR)-Decahydroquinoline
CID 66313
2-Methyldecahydroquinoline (mixture of isomers)
CID 524016
4-Methyl-decahydroquinoline
CID 524017
Pumiliotoxin C
CID 114949
Quinoline, decahydro-, cis-
CID 6994355
trans-Decahydroisoquinoline
CID 11083964
6-Methyl-decahydroquinoline
CID 429040
(4aS,8aR)-Decahydroquinoline
CID 6994352
Tetradecahydro-4,7-phenanthroline
CID 67336357

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 54107181) is (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is C[C@@H]1CC2CCCCC2CN1.
What is the InChIKey of (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is NEOJGWWKIFBTJR-XNWIYYODSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h8-11H,2-7H2,1H3/t8-,9?,10?/m1/s1.
What are the key properties of (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline 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 (3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 54107181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).