5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide

C15H32N4O — CID 77029969

IUPAC5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCNCCCCC(N)=NO)C1CCCCC1
InChIInChI=1S/C15H32N4O/c1-19(14-8-3-2-4-9-14)13-7-12-17-11-6-5-10-15(16)18-20/h14,17,20H,2-13H2,1H3,(H2,16,18)
InChIKeyGZBFTFZJPUJMPS-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.15
Rot. Bonds10

About 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide

5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide (PubChem CID 77029969) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
PubChem CID77029969
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCNCCCCC(N)=NO)C1CCCCC1
InChIInChI=1S/C15H32N4O/c1-19(14-8-3-2-4-9-14)13-7-12-17-11-6-5-10-15(16)18-20/h14,17,20H,2-13H2,1H3,(H2,16,18)
InChIKeyGZBFTFZJPUJMPS-UHFFFAOYSA-N
XLogP2.15
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide (CID 77029969) is 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide is CN(CCCNCCCCC(N)=NO)C1CCCCC1.
What is the InChIKey of 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide?
The InChIKey is GZBFTFZJPUJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-19(14-8-3-2-4-9-14)13-7-12-17-11-6-5-10-15(16)18-20/h14,17,20H,2-13H2,1H3,(H2,16,18).
What are the key properties of 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide?
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide has a molecular weight of 284.45 g/mol, XLogP of 2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77029969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).