3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide

C10H21N3O2 — CID 76910514

IUPAC3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C10H21N3O2/c1-2-13(5-3-10(11)12-14)7-9-4-6-15-8-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyFXFYFSXPIJHPNO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds6

About 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910514) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910514
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C10H21N3O2/c1-2-13(5-3-10(11)12-14)7-9-4-6-15-8-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyFXFYFSXPIJHPNO-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 47053877
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 76910514) is 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC1CCOC1.
What is the InChIKey of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is FXFYFSXPIJHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-13(5-3-10(11)12-14)7-9-4-6-15-8-9/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).