4-methyl-1,4-diazepane-1-carboximidamide

C7H16N4 — CID 43209360

IUPAC4-methyl-1,4-diazepane-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C7H16N4/c1-10-3-2-4-11(6-5-10)7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyVPKIYAFZAMGOMR-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.48
Rot. Bonds

About 4-methyl-1,4-diazepane-1-carboximidamide

4-methyl-1,4-diazepane-1-carboximidamide (PubChem CID 43209360) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methyl-1,4-diazepane-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-1,4-diazepane-1-carboximidamide
PubChem CID43209360
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name4-methyl-1,4-diazepane-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C7H16N4/c1-10-3-2-4-11(6-5-10)7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyVPKIYAFZAMGOMR-UHFFFAOYSA-N
XLogP-0.48
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-1,4-diazepane-1-carboximidamide 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 4-methyl-1,4-diazepane-1-carboximidamide?
The IUPAC name of 4-methyl-1,4-diazepane-1-carboximidamide (CID 43209360) is 4-methyl-1,4-diazepane-1-carboximidamide.
What is the SMILES notation for 4-methyl-1,4-diazepane-1-carboximidamide?
The canonical SMILES for 4-methyl-1,4-diazepane-1-carboximidamide is [H]/N=C(\N)N1CCCN(C)CC1.
What is the InChIKey of 4-methyl-1,4-diazepane-1-carboximidamide?
The InChIKey is VPKIYAFZAMGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-10-3-2-4-11(6-5-10)7(8)9/h2-6H2,1H3,(H3,8,9).
What are the key properties of 4-methyl-1,4-diazepane-1-carboximidamide?
4-methyl-1,4-diazepane-1-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diazepane-1-carboximidamide is sourced from PubChem (CID 43209360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).