N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide

C12H25N3O2 — CID 55225847

IUPACN'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC1CCCOC1
InChIInChI=1S/C12H25N3O2/c1-3-11(7-12(13)14-16)15(2)8-10-5-4-6-17-9-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBDGXQNXCWCYHQO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds6

About N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide

N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide (PubChem CID 55225847) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
PubChem CID55225847
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC1CCCOC1
InChIInChI=1S/C12H25N3O2/c1-3-11(7-12(13)14-16)15(2)8-10-5-4-6-17-9-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBDGXQNXCWCYHQO-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': '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

2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide (CID 55225847) is N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)CC1CCCOC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide?
The InChIKey is BDGXQNXCWCYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-11(7-12(13)14-16)15(2)8-10-5-4-6-17-9-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 55225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).