N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide

C15H29N5 — CID 71514806

IUPACN'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C15H29N5/c16-14(17)19-15(20-11-7-3-4-8-12-20)18-13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,16,17,18,19)
InChIKeyZLMGWHJGBBTZPV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.21
Rot. Bonds1

About N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide

N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide (PubChem CID 71514806) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide
PubChem CID71514806
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C15H29N5/c16-14(17)19-15(20-11-7-3-4-8-12-20)18-13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,16,17,18,19)
InChIKeyZLMGWHJGBBTZPV-UHFFFAOYSA-N
XLogP2.21
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-cycloheptyl-N-(diaminomethylidene)azepane-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 N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The IUPAC name of N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide (CID 71514806) is N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide.
What is the SMILES notation for N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The canonical SMILES for N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide is NC(N)=N/C(=N\C1CCCCCC1)N1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide?
The InChIKey is ZLMGWHJGBBTZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c16-14(17)19-15(20-11-7-3-4-8-12-20)18-13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,16,17,18,19).
What are the key properties of N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide?
N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide has a molecular weight of 279.43 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(diaminomethylidene)azepane-1-carboximidamide is sourced from PubChem (CID 71514806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).