N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide

C13H25N5 — CID 71514341

IUPACN'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide
SMILESNC(=N\C1CCCC1)/N=C(\N)N1CCCCCC1
InChIInChI=1S/C13H25N5/c14-12(16-11-7-3-4-8-11)17-13(15)18-9-5-1-2-6-10-18/h11H,1-10H2,(H4,14,15,16,17)
InChIKeyZYMMMPOEIYVNRU-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.43
Rot. Bonds1

About N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide

N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide (PubChem CID 71514341) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide
PubChem CID71514341
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide
SMILESNC(=N\C1CCCC1)/N=C(\N)N1CCCCCC1
InChIInChI=1S/C13H25N5/c14-12(16-11-7-3-4-8-11)17-13(15)18-9-5-1-2-6-10-18/h11H,1-10H2,(H4,14,15,16,17)
InChIKeyZYMMMPOEIYVNRU-UHFFFAOYSA-N
XLogP1.43
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.43
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'-(N'-cyclopentylcarbamimidoyl)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'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide?
The IUPAC name of N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide (CID 71514341) is N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide.
What is the SMILES notation for N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide?
The canonical SMILES for N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide is NC(=N\C1CCCC1)/N=C(\N)N1CCCCCC1.
What is the InChIKey of N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide?
The InChIKey is ZYMMMPOEIYVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c14-12(16-11-7-3-4-8-11)17-13(15)18-9-5-1-2-6-10-18/h11H,1-10H2,(H4,14,15,16,17).
What are the key properties of N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide?
N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide has a molecular weight of 251.38 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclopentylcarbamimidoyl)azepane-1-carboximidamide is sourced from PubChem (CID 71514341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).