(5S,7R)-5,7-dimethyl-1,4-diazepane

C7H16N2 — CID 55288229

IUPAC(5S,7R)-5,7-dimethyl-1,4-diazepane
SMILESC[C@@H]1C[C@H](C)NCCN1
InChIInChI=1S/C7H16N2/c1-6-5-7(2)9-4-3-8-6/h6-9H,3-5H2,1-2H3/t6-,7+
InChIKeyKBRAFCMQLHSOQL-KNVOCYPGSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds

About (5S,7R)-5,7-dimethyl-1,4-diazepane

(5S,7R)-5,7-dimethyl-1,4-diazepane (PubChem CID 55288229) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (5S,7R)-5,7-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name(5S,7R)-5,7-dimethyl-1,4-diazepane
PubChem CID55288229
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(5S,7R)-5,7-dimethyl-1,4-diazepane
SMILESC[C@@H]1C[C@H](C)NCCN1
InChIInChI=1S/C7H16N2/c1-6-5-7(2)9-4-3-8-6/h6-9H,3-5H2,1-2H3/t6-,7+
InChIKeyKBRAFCMQLHSOQL-KNVOCYPGSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S,7R)-5,7-dimethyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5,7-dimethyl-1,4-diazepane?
The IUPAC name of (5S,7R)-5,7-dimethyl-1,4-diazepane (CID 55288229) is (5S,7R)-5,7-dimethyl-1,4-diazepane.
What is the SMILES notation for (5S,7R)-5,7-dimethyl-1,4-diazepane?
The canonical SMILES for (5S,7R)-5,7-dimethyl-1,4-diazepane is C[C@@H]1C[C@H](C)NCCN1.
What is the InChIKey of (5S,7R)-5,7-dimethyl-1,4-diazepane?
The InChIKey is KBRAFCMQLHSOQL-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-5-7(2)9-4-3-8-6/h6-9H,3-5H2,1-2H3/t6-,7+.
What are the key properties of (5S,7R)-5,7-dimethyl-1,4-diazepane?
(5S,7R)-5,7-dimethyl-1,4-diazepane has a molecular weight of 128.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5,7-dimethyl-1,4-diazepane is sourced from PubChem (CID 55288229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).