N-(1-ethylpyrrolidin-2-yl)oxymethanamine

C7H16N2O — CID 117126718

IUPACN-(1-ethylpyrrolidin-2-yl)oxymethanamine
SMILESCCN1CCCC1ONC
InChIInChI=1S/C7H16N2O/c1-3-9-6-4-5-7(9)10-8-2/h7-8H,3-6H2,1-2H3
InChIKeyDUSAEWIMDVDVCM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.58
Rot. Bonds3

About N-(1-ethylpyrrolidin-2-yl)oxymethanamine

N-(1-ethylpyrrolidin-2-yl)oxymethanamine (PubChem CID 117126718) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-2-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-2-yl)oxymethanamine
PubChem CID117126718
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(1-ethylpyrrolidin-2-yl)oxymethanamine
SMILESCCN1CCCC1ONC
InChIInChI=1S/C7H16N2O/c1-3-9-6-4-5-7(9)10-8-2/h7-8H,3-6H2,1-2H3
InChIKeyDUSAEWIMDVDVCM-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-2-yl)oxymethanamine?
The IUPAC name of N-(1-ethylpyrrolidin-2-yl)oxymethanamine (CID 117126718) is N-(1-ethylpyrrolidin-2-yl)oxymethanamine.
What is the SMILES notation for N-(1-ethylpyrrolidin-2-yl)oxymethanamine?
The canonical SMILES for N-(1-ethylpyrrolidin-2-yl)oxymethanamine is CCN1CCCC1ONC.
What is the InChIKey of N-(1-ethylpyrrolidin-2-yl)oxymethanamine?
The InChIKey is DUSAEWIMDVDVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9-6-4-5-7(9)10-8-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(1-ethylpyrrolidin-2-yl)oxymethanamine?
N-(1-ethylpyrrolidin-2-yl)oxymethanamine has a molecular weight of 144.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-2-yl)oxymethanamine is sourced from PubChem (CID 117126718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).