3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide

C11H23N3O2 — CID 77057992

IUPAC3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CCC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-2-14(8-6-11(12)13-15)7-5-10-4-3-9-16-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyUKDUSRJEOFVEQJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds7

About 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide

3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide (PubChem CID 77057992) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
PubChem CID77057992
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CCC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-2-14(8-6-11(12)13-15)7-5-10-4-3-9-16-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyUKDUSRJEOFVEQJ-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
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-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
N'-[2-(oxolan-2-yl)ethyl]butanimidamide
CID 63177994
N'-hydroxy-2-[oxan-2-ylmethyl(propyl)amino]ethanimidamide
CID 76927473
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide (CID 77057992) is 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CCC1CCCO1.
What is the InChIKey of 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is UKDUSRJEOFVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-14(8-6-11(12)13-15)7-5-10-4-3-9-16-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide?
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77057992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).