3-methyl-3,4,5,6,7,8-hexahydroisoquinoline

C10H15N — CID 123354626

IUPAC3-methyl-3,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1CC2=C(C=N1)CCCC2
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h7-8H,2-6H2,1H3
InChIKeyBDLHAVGQGSOHOF-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.72
Rot. Bonds

About 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline

3-methyl-3,4,5,6,7,8-hexahydroisoquinoline (PubChem CID 123354626) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-3,4,5,6,7,8-hexahydroisoquinoline
PubChem CID123354626
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-methyl-3,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1CC2=C(C=N1)CCCC2
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h7-8H,2-6H2,1H3
InChIKeyBDLHAVGQGSOHOF-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1,4,5,6,7,8-hexahydroisoquinoline
CID 23558738
3,4,5,6,7,8-Hexahydroisoquinoline
CID 53627705
3,4,5,6,7,8-Hexahydroquinoline
CID 53627927
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoxaline
CID 57614237
2,5,7,8-tetramethyl-6-methylidene-3,4-dihydro-2H-quinoline
CID 68030461
1,4,5,6,7,8-Hexahydroisoquinoline
CID 90733336
3,4,6,7,8,8a-Hexahydroquinoline
CID 91429706
5-Ethyl-2,4-dimethyl-2,3-dihydropyridine
CID 123756671
1-Ethyl-3,4,7,8-tetrahydro-2,6-naphthyridine
CID 123901375
2,4,5-Trimethyl-2,3-dihydropyridine
CID 141811111
Ethane;3,4,5,6,7,8-hexahydroquinoline
CID 142548961
N-methyl-1-(2-methylcyclohexen-1-yl)methanimine
CID 144010246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline?
The IUPAC name of 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline (CID 123354626) is 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline.
What is the SMILES notation for 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline?
The canonical SMILES for 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline is CC1CC2=C(C=N1)CCCC2.
What is the InChIKey of 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline?
The InChIKey is BDLHAVGQGSOHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline?
3-methyl-3,4,5,6,7,8-hexahydroisoquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,5,6,7,8-hexahydroisoquinoline is sourced from PubChem (CID 123354626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).