12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline

C17H26N2 — CID 71171067

IUPAC12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline
SMILESCC1=NC2C3CCCCC3C=NC2C2CCCCC12
InChIInChI=1S/C17H26N2/c1-11-13-7-4-5-9-15(13)16-17(19-11)14-8-3-2-6-12(14)10-18-16/h10,12-17H,2-9H2,1H3
InChIKeyXVCRZRCSRRKBKJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.90
Rot. Bonds

About 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline

12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline (PubChem CID 71171067) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline.

Molecular Properties

Compound Name12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline
PubChem CID71171067
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline
SMILESCC1=NC2C3CCCCC3C=NC2C2CCCCC12
InChIInChI=1S/C17H26N2/c1-11-13-7-4-5-9-15(13)16-17(19-11)14-8-3-2-6-12(14)10-18-16/h10,12-17H,2-9H2,1H3
InChIKeyXVCRZRCSRRKBKJ-UHFFFAOYSA-N
XLogP3.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline?
The IUPAC name of 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline (CID 71171067) is 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline.
What is the SMILES notation for 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline?
The canonical SMILES for 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline is CC1=NC2C3CCCCC3C=NC2C2CCCCC12.
What is the InChIKey of 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline?
The InChIKey is XVCRZRCSRRKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-11-13-7-4-5-9-15(13)16-17(19-11)14-8-3-2-6-12(14)10-18-16/h10,12-17H,2-9H2,1H3.
What are the key properties of 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline?
12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,12a-tetradecahydroisoquinolino[4,3-c]isoquinoline is sourced from PubChem (CID 71171067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).