4-ethoxyimino-3-methylpyrrolidin-3-amine

C7H15N3O — CID 141348399

IUPAC4-ethoxyimino-3-methylpyrrolidin-3-amine
SMILESCCON=C1CNCC1(C)N
InChIInChI=1S/C7H15N3O/c1-3-11-10-6-4-9-5-7(6,2)8/h9H,3-5,8H2,1-2H3
InChIKeyNMOAHZAEJYXNTO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.30
Rot. Bonds2

About 4-ethoxyimino-3-methylpyrrolidin-3-amine

4-ethoxyimino-3-methylpyrrolidin-3-amine (PubChem CID 141348399) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-ethoxyimino-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-ethoxyimino-3-methylpyrrolidin-3-amine
PubChem CID141348399
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-ethoxyimino-3-methylpyrrolidin-3-amine
SMILESCCON=C1CNCC1(C)N
InChIInChI=1S/C7H15N3O/c1-3-11-10-6-4-9-5-7(6,2)8/h9H,3-5,8H2,1-2H3
InChIKeyNMOAHZAEJYXNTO-UHFFFAOYSA-N
XLogP-0.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxyazetidin-3-imine
CID 137451087
(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
CID 53305610
N-ethoxypyrrolidin-3-imine
CID 123677631
[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
CID 10633199
(Z)-N-ethoxyspiro[3.3]heptan-3-imine
CID 126994966
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
CID 142628210
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 97184502
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
3-ethoxy-3-methylazetidine
CID 83066072
ethyl formate;1-methylcyclobutan-1-amine
CID 174536210
N-ethoxyoxan-4-imine
CID 90826046
(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine
CID 125476420

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyimino-3-methylpyrrolidin-3-amine?
The IUPAC name of 4-ethoxyimino-3-methylpyrrolidin-3-amine (CID 141348399) is 4-ethoxyimino-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-ethoxyimino-3-methylpyrrolidin-3-amine?
The canonical SMILES for 4-ethoxyimino-3-methylpyrrolidin-3-amine is CCON=C1CNCC1(C)N.
What is the InChIKey of 4-ethoxyimino-3-methylpyrrolidin-3-amine?
The InChIKey is NMOAHZAEJYXNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-11-10-6-4-9-5-7(6,2)8/h9H,3-5,8H2,1-2H3.
What are the key properties of 4-ethoxyimino-3-methylpyrrolidin-3-amine?
4-ethoxyimino-3-methylpyrrolidin-3-amine has a molecular weight of 157.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyimino-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 141348399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).