3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline

C17H25N — CID 83970595

IUPAC3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline
SMILESCC1Cc2cc3c(cc2C(C(C)C)N1)CCCC3
InChIInChI=1S/C17H25N/c1-11(2)17-16-10-14-7-5-4-6-13(14)9-15(16)8-12(3)18-17/h9-12,17-18H,4-8H2,1-3H3
InChIKeyDFAGCLLKWFBNJI-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.80
Rot. Bonds1

About 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline

3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline (PubChem CID 83970595) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline
PubChem CID83970595
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline
SMILESCC1Cc2cc3c(cc2C(C(C)C)N1)CCCC3
InChIInChI=1S/C17H25N/c1-11(2)17-16-10-14-7-5-4-6-13(14)9-15(16)8-12(3)18-17/h9-12,17-18H,4-8H2,1-3H3
InChIKeyDFAGCLLKWFBNJI-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline?
The IUPAC name of 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline (CID 83970595) is 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline?
The canonical SMILES for 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline is CC1Cc2cc3c(cc2C(C(C)C)N1)CCCC3.
What is the InChIKey of 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline?
The InChIKey is DFAGCLLKWFBNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-11(2)17-16-10-14-7-5-4-6-13(14)9-15(16)8-12(3)18-17/h9-12,17-18H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline?
3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline has a molecular weight of 243.39 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline is sourced from PubChem (CID 83970595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).