3,4,6-trimethyl-3H-azepine-2,5-diamine

C9H15N3 — CID 144980718

IUPAC3,4,6-trimethyl-3H-azepine-2,5-diamine
SMILESCC1=CN=C(N)C(C)C(C)=C1N
InChIInChI=1S/C9H15N3/c1-5-4-12-9(11)7(3)6(2)8(5)10/h4,7H,10H2,1-3H3,(H2,11,12)
InChIKeyZHTAACFIEFRMFD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.13
Rot. Bonds

About 3,4,6-trimethyl-3H-azepine-2,5-diamine

3,4,6-trimethyl-3H-azepine-2,5-diamine (PubChem CID 144980718) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4,6-trimethyl-3H-azepine-2,5-diamine.

Molecular Properties

Compound Name3,4,6-trimethyl-3H-azepine-2,5-diamine
PubChem CID144980718
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,4,6-trimethyl-3H-azepine-2,5-diamine
SMILESCC1=CN=C(N)C(C)C(C)=C1N
InChIInChI=1S/C9H15N3/c1-5-4-12-9(11)7(3)6(2)8(5)10/h4,7H,10H2,1-3H3,(H2,11,12)
InChIKeyZHTAACFIEFRMFD-UHFFFAOYSA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-3H-azepine-2,5-diamine?
The IUPAC name of 3,4,6-trimethyl-3H-azepine-2,5-diamine (CID 144980718) is 3,4,6-trimethyl-3H-azepine-2,5-diamine.
What is the SMILES notation for 3,4,6-trimethyl-3H-azepine-2,5-diamine?
The canonical SMILES for 3,4,6-trimethyl-3H-azepine-2,5-diamine is CC1=CN=C(N)C(C)C(C)=C1N.
What is the InChIKey of 3,4,6-trimethyl-3H-azepine-2,5-diamine?
The InChIKey is ZHTAACFIEFRMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-4-12-9(11)7(3)6(2)8(5)10/h4,7H,10H2,1-3H3,(H2,11,12).
What are the key properties of 3,4,6-trimethyl-3H-azepine-2,5-diamine?
3,4,6-trimethyl-3H-azepine-2,5-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-3H-azepine-2,5-diamine is sourced from PubChem (CID 144980718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).