N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide

C12H25N3O2 — CID 76951572

IUPACN'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-15(7-3-2-4-12(13)14-16)10-11-5-8-17-9-6-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyATSUIFVASXPIQJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds7

About N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide

N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (PubChem CID 76951572) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
PubChem CID76951572
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-15(7-3-2-4-12(13)14-16)10-11-5-8-17-9-6-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyATSUIFVASXPIQJ-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
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

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (CID 76951572) is N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide is CN(CCCCC(N)=NO)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The InChIKey is ATSUIFVASXPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-15(7-3-2-4-12(13)14-16)10-11-5-8-17-9-6-11/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 76951572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).