methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C11H23NO — CID 168977897

IUPACmethanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC1CC2CCCCC2CN1.CO
InChIInChI=1S/C10H19N.CH4O/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-2/h8-11H,2-7H2,1H3;2H,1H3
InChIKeyYENKOBBJYOUVJU-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds

About methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 168977897) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Namemethanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID168977897
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namemethanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC1CC2CCCCC2CN1.CO
InChIInChI=1S/C10H19N.CH4O/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-2/h8-11H,2-7H2,1H3;2H,1H3
InChIKeyYENKOBBJYOUVJU-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 168977897) is methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is CC1CC2CCCCC2CN1.CO.
What is the InChIKey of methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is YENKOBBJYOUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.CH4O/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-2/h8-11H,2-7H2,1H3;2H,1H3.
What are the key properties of methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline has a molecular weight of 185.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 168977897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).