5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide

C13H25N3O — CID 77029656

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCCC1=CCCCC1)=NO
InChIInChI=1S/C13H25N3O/c14-13(16-17)8-4-5-10-15-11-9-12-6-2-1-3-7-12/h6,15,17H,1-5,7-11H2,(H2,14,16)
InChIKeyUVKYPGVNIQMAIK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.38
Rot. Bonds8

About 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide

5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77029656) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77029656
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCCC1=CCCCC1)=NO
InChIInChI=1S/C13H25N3O/c14-13(16-17)8-4-5-10-15-11-9-12-6-2-1-3-7-12/h6,15,17H,1-5,7-11H2,(H2,14,16)
InChIKeyUVKYPGVNIQMAIK-UHFFFAOYSA-N
XLogP2.38
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.38
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177113
5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025804
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029871
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 103247876
4-(cyclohexen-1-yl)butanamide
CID 165359181

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide (CID 77029656) is 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide is NC(CCCCNCCC1=CCCCC1)=NO.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is UVKYPGVNIQMAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(16-17)8-4-5-10-15-11-9-12-6-2-1-3-7-12/h6,15,17H,1-5,7-11H2,(H2,14,16).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77029656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).