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

C12H25N3O — CID 109374536

IUPAC5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCN(CCCC/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O/c1-15(11-7-3-2-4-8-11)10-6-5-9-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyHYPXXBRLPSZJJE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.17
Rot. Bonds6

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

5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 109374536) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID109374536
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCN(CCCC/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O/c1-15(11-7-3-2-4-8-11)10-6-5-9-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyHYPXXBRLPSZJJE-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 54966234
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 102862968
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide (CID 109374536) is 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide is CN(CCCC/C(N)=N/O)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is HYPXXBRLPSZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15(11-7-3-2-4-8-11)10-6-5-9-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide?
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).