N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide

C11H23N3O3 — CID 76994058

IUPACN'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C11H23N3O3/c1-16-7-5-14(4-2-11(12)13-15)8-10-3-6-17-9-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyRSSPAKAMHMBHOR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.11
Rot. Bonds8

About N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide (PubChem CID 76994058) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
PubChem CID76994058
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C11H23N3O3/c1-16-7-5-14(4-2-11(12)13-15)8-10-3-6-17-9-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyRSSPAKAMHMBHOR-UHFFFAOYSA-N
XLogP0.11
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 52533901
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
2-methoxy-N-(oxolan-3-ylmethyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 50953739
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanenitrile
CID 63286499

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide (CID 76994058) is N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide is COCCN(CCC(N)=NO)CC1CCOC1.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide?
The InChIKey is RSSPAKAMHMBHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-16-7-5-14(4-2-11(12)13-15)8-10-3-6-17-9-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide has a molecular weight of 245.32 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 76994058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).