N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide

C13H27N3O — CID 77031889

IUPACN'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
SMILESCCCC1CCC(NCCCC(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(14)16-17/h11-12,15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyKCEYAEIVNBRIQZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.46
Rot. Bonds7

About N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide

N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide (PubChem CID 77031889) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
PubChem CID77031889
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
SMILESCCCC1CCC(NCCCC(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(14)16-17/h11-12,15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyKCEYAEIVNBRIQZ-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide 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'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide (CID 77031889) is N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide is CCCC1CCC(NCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide?
The InChIKey is KCEYAEIVNBRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(14)16-17/h11-12,15,17H,2-10H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide?
N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide is sourced from PubChem (CID 77031889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).