7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline

C10H15N — CID 139448431

IUPAC7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCC1=CC2CNCCC2C=C1
InChIInChI=1S/C10H15N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,9-11H,4-5,7H2,1H3
InChIKeyUPPWWAPXMBWDAI-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.73
Rot. Bonds

About 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline

7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline (PubChem CID 139448431) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
PubChem CID139448431
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
SMILESCC1=CC2CNCCC2C=C1
InChIInChI=1S/C10H15N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,9-11H,4-5,7H2,1H3
InChIKeyUPPWWAPXMBWDAI-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The IUPAC name of 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline (CID 139448431) is 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The canonical SMILES for 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline is CC1=CC2CNCCC2C=C1.
What is the InChIKey of 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
The InChIKey is UPPWWAPXMBWDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,9-11H,4-5,7H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline?
7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline has a molecular weight of 149.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline is sourced from PubChem (CID 139448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).