6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine

C12H22N2 — CID 143981097

IUPAC6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine
SMILESCC1C=C2CCNCC2=CC1C.CN
InChIInChI=1S/C11H17N.CH5N/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-2/h5-6,8-9,12H,3-4,7H2,1-2H3;2H2,1H3
InChIKeyMITDRPKIDGBMSX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.69
Rot. Bonds

About 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine

6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine (PubChem CID 143981097) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine.

Molecular Properties

Compound Name6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine
PubChem CID143981097
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine
SMILESCC1C=C2CCNCC2=CC1C.CN
InChIInChI=1S/C11H17N.CH5N/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-2/h5-6,8-9,12H,3-4,7H2,1-2H3;2H2,1H3
InChIKeyMITDRPKIDGBMSX-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine?
The IUPAC name of 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine (CID 143981097) is 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine.
What is the SMILES notation for 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine?
The canonical SMILES for 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine is CC1C=C2CCNCC2=CC1C.CN.
What is the InChIKey of 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine?
The InChIKey is MITDRPKIDGBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH5N/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-2/h5-6,8-9,12H,3-4,7H2,1-2H3;2H2,1H3.
What are the key properties of 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine?
6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,3,4,6,7-hexahydroisoquinoline;methanamine is sourced from PubChem (CID 143981097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).