N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide

C10H21N3O2 — CID 76942668

IUPACN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-13(5-2-10(11)12-14)8-9-3-6-15-7-4-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyFBBMDQCQNGNPDM-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide (PubChem CID 76942668) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
PubChem CID76942668
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-13(5-2-10(11)12-14)8-9-3-6-15-7-4-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyFBBMDQCQNGNPDM-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
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

N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
3-[cyclopropyl(oxan-4-yl)amino]-N'-hydroxypropanimidamide
CID 77013640
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942680
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide (CID 76942668) is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide is CN(CCC(N)=NO)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The InChIKey is FBBMDQCQNGNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(5-2-10(11)12-14)8-9-3-6-15-7-4-9/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 5 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-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 76942668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).