N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide

C14H26N4O — CID 79151779

IUPACN-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C14H26N4O/c15-12(16)14(8-4-3-5-9-14)17-13(19)18-10-6-1-2-7-11-18/h1-11H2,(H3,15,16)(H,17,19)
InChIKeyYUCDRFFJEVHNKR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.21
Rot. Bonds2

About N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide

N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide (PubChem CID 79151779) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide
PubChem CID79151779
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C14H26N4O/c15-12(16)14(8-4-3-5-9-14)17-13(19)18-10-6-1-2-7-11-18/h1-11H2,(H3,15,16)(H,17,19)
InChIKeyYUCDRFFJEVHNKR-UHFFFAOYSA-N
XLogP2.21
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide 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-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide?
The IUPAC name of N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide (CID 79151779) is N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide?
The canonical SMILES for N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide is [H]/N=C(\N)C1(NC(=O)N2CCCCCC2)CCCCC1.
What is the InChIKey of N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide?
The InChIKey is YUCDRFFJEVHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-12(16)14(8-4-3-5-9-14)17-13(19)18-10-6-1-2-7-11-18/h1-11H2,(H3,15,16)(H,17,19).
What are the key properties of N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide?
N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamimidoylcyclohexyl)azepane-1-carboxamide is sourced from PubChem (CID 79151779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).