N-(1-ethylpyrrolidin-3-yl)oxymethanamine

C7H16N2O — CID 117126703

IUPACN-(1-ethylpyrrolidin-3-yl)oxymethanamine
SMILESCCN1CCC(ONC)C1
InChIInChI=1S/C7H16N2O/c1-3-9-5-4-7(6-9)10-8-2/h7-8H,3-6H2,1-2H3
InChIKeyOMIFZVGAASBIFG-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.23
Rot. Bonds3

About N-(1-ethylpyrrolidin-3-yl)oxymethanamine

N-(1-ethylpyrrolidin-3-yl)oxymethanamine (PubChem CID 117126703) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-3-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-3-yl)oxymethanamine
PubChem CID117126703
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(1-ethylpyrrolidin-3-yl)oxymethanamine
SMILESCCN1CCC(ONC)C1
InChIInChI=1S/C7H16N2O/c1-3-9-5-4-7(6-9)10-8-2/h7-8H,3-6H2,1-2H3
InChIKeyOMIFZVGAASBIFG-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(1-methylpyrrolidin-3-yl)hydroxylamine dihydrochloride
CID 71653271
N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine
CID 170278696
O-(pyrrolidin-3-yl)hydroxylamine
CID 19691467
O-[(3R)-pyrrolidin-3-yl]hydroxylamine
CID 59668033
2-(1-Methyl-pyrrolidin-3-yloxy)-ethylamine
CID 66563884
O-[(3S)-pyrrolidin-3-yl]hydroxylamine
CID 68728673
4-(3-Methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
O-(1-methylpyrrolidin-3-yl)hydroxylamine
CID 71653272
O-(1-propylpyrrolidin-3-yl)hydroxylamine
CID 84107100
(3S)-3-(aminooxy)-1-methylpyrrolidine
CID 86693984
N-(2-pyrrolidin-1-ylethoxy)methanamine
CID 117126758
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-3-yl)oxymethanamine?
The IUPAC name of N-(1-ethylpyrrolidin-3-yl)oxymethanamine (CID 117126703) is N-(1-ethylpyrrolidin-3-yl)oxymethanamine.
What is the SMILES notation for N-(1-ethylpyrrolidin-3-yl)oxymethanamine?
The canonical SMILES for N-(1-ethylpyrrolidin-3-yl)oxymethanamine is CCN1CCC(ONC)C1.
What is the InChIKey of N-(1-ethylpyrrolidin-3-yl)oxymethanamine?
The InChIKey is OMIFZVGAASBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9-5-4-7(6-9)10-8-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(1-ethylpyrrolidin-3-yl)oxymethanamine?
N-(1-ethylpyrrolidin-3-yl)oxymethanamine has a molecular weight of 144.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-3-yl)oxymethanamine is sourced from PubChem (CID 117126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).