N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide

C10H21N3O2 — CID 76915828

IUPACN'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O2/c1-3-9(10(11)12-14)13(2)7-8-5-4-6-15-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeySQCZKTGVFIRUGT-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds5

About N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide

N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide (PubChem CID 76915828) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
PubChem CID76915828
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O2/c1-3-9(10(11)12-14)13(2)7-8-5-4-6-15-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeySQCZKTGVFIRUGT-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.62
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-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103369307
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide (CID 76915828) is N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide is CCC(C(N)=NO)N(C)CC1CCCO1.
What is the InChIKey of N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
The InChIKey is SQCZKTGVFIRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-9(10(11)12-14)13(2)7-8-5-4-6-15-8/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide?
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 76915828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).