4,7-dimethyl-3H-azocin-4-amine

C9H14N2 — CID 90988215

IUPAC4,7-dimethyl-3H-azocin-4-amine
SMILESCC1=C/N=C\CC(C)(N)C=C1
InChIInChI=1S/C9H14N2/c1-8-3-4-9(2,10)5-6-11-7-8/h3-4,6-7H,5,10H2,1-2H3/b4-3?,8-7?,11-6-
InChIKeySXZRQLWEXLEXIC-GIKHDYQHSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

About 4,7-dimethyl-3H-azocin-4-amine

4,7-dimethyl-3H-azocin-4-amine (PubChem CID 90988215) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,7-dimethyl-3H-azocin-4-amine.

Molecular Properties

Compound Name4,7-dimethyl-3H-azocin-4-amine
PubChem CID90988215
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4,7-dimethyl-3H-azocin-4-amine
SMILESCC1=C/N=C\CC(C)(N)C=C1
InChIInChI=1S/C9H14N2/c1-8-3-4-9(2,10)5-6-11-7-8/h3-4,6-7H,5,10H2,1-2H3/b4-3?,8-7?,11-6-
InChIKeySXZRQLWEXLEXIC-GIKHDYQHSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3H-azocin-4-amine?
The IUPAC name of 4,7-dimethyl-3H-azocin-4-amine (CID 90988215) is 4,7-dimethyl-3H-azocin-4-amine.
What is the SMILES notation for 4,7-dimethyl-3H-azocin-4-amine?
The canonical SMILES for 4,7-dimethyl-3H-azocin-4-amine is CC1=C/N=C\CC(C)(N)C=C1.
What is the InChIKey of 4,7-dimethyl-3H-azocin-4-amine?
The InChIKey is SXZRQLWEXLEXIC-GIKHDYQHSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-3-4-9(2,10)5-6-11-7-8/h3-4,6-7H,5,10H2,1-2H3/b4-3?,8-7?,11-6-.
What are the key properties of 4,7-dimethyl-3H-azocin-4-amine?
4,7-dimethyl-3H-azocin-4-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3H-azocin-4-amine is sourced from PubChem (CID 90988215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).