N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide

C12H26N4O — CID 55084848

IUPACN'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
SMILESCN1CCCC(N(C)CCCC/C(N)=N/O)C1
InChIInChI=1S/C12H26N4O/c1-15-8-5-6-11(10-15)16(2)9-4-3-7-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeySBAQLLMHQGKABT-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds6

About N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide

N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide (PubChem CID 55084848) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
PubChem CID55084848
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
SMILESCN1CCCC(N(C)CCCC/C(N)=N/O)C1
InChIInChI=1S/C12H26N4O/c1-15-8-5-6-11(10-15)16(2)9-4-3-7-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeySBAQLLMHQGKABT-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
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
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 54966234
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide (CID 55084848) is N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide is CN1CCCC(N(C)CCCC/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide?
The InChIKey is SBAQLLMHQGKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-15-8-5-6-11(10-15)16(2)9-4-3-7-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide?
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide is sourced from PubChem (CID 55084848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).