4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine

C13H20N2 — CID 146351071

IUPAC4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine
SMILESCC1CCNc2ccccc2C(C)(N)C1
InChIInChI=1S/C13H20N2/c1-10-7-8-15-12-6-4-3-5-11(12)13(2,14)9-10/h3-6,10,15H,7-9,14H2,1-2H3
InChIKeyHFQJFJPLGSMZRO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.70
Rot. Bonds

About 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine

4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine (PubChem CID 146351071) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine.

Molecular Properties

Compound Name4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine
PubChem CID146351071
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine
SMILESCC1CCNc2ccccc2C(C)(N)C1
InChIInChI=1S/C13H20N2/c1-10-7-8-15-12-6-4-3-5-11(12)13(2,14)9-10/h3-6,10,15H,7-9,14H2,1-2H3
InChIKeyHFQJFJPLGSMZRO-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine?
The IUPAC name of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine (CID 146351071) is 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine.
What is the SMILES notation for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine?
The canonical SMILES for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine is CC1CCNc2ccccc2C(C)(N)C1.
What is the InChIKey of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine?
The InChIKey is HFQJFJPLGSMZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-7-8-15-12-6-4-3-5-11(12)13(2,14)9-10/h3-6,10,15H,7-9,14H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine?
4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine has a molecular weight of 204.32 g/mol, XLogP of 2.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazocin-6-amine is sourced from PubChem (CID 146351071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).