2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline

C11H17N — CID 143226943

IUPAC2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline
SMILESC=C1C2=CCCCC2CCN1C
InChIInChI=1S/C11H17N/c1-9-11-6-4-3-5-10(11)7-8-12(9)2/h6,10H,1,3-5,7-8H2,2H3
InChIKeyATKCPBNQPJHINM-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.56
Rot. Bonds

About 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline

2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline (PubChem CID 143226943) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline.

Molecular Properties

Compound Name2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline
PubChem CID143226943
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline
SMILESC=C1C2=CCCCC2CCN1C
InChIInChI=1S/C11H17N/c1-9-11-6-4-3-5-10(11)7-8-12(9)2/h6,10H,1,3-5,7-8H2,2H3
InChIKeyATKCPBNQPJHINM-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline?
The IUPAC name of 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline (CID 143226943) is 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline.
What is the SMILES notation for 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline?
The canonical SMILES for 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline is C=C1C2=CCCCC2CCN1C.
What is the InChIKey of 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline?
The InChIKey is ATKCPBNQPJHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-11-6-4-3-5-10(11)7-8-12(9)2/h6,10H,1,3-5,7-8H2,2H3.
What are the key properties of 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline?
2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline has a molecular weight of 163.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-3,4,4a,5,6,7-hexahydroisoquinoline is sourced from PubChem (CID 143226943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).