ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine

C8H20N2O — CID 144617995

IUPACethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine
SMILESCC.NOCCN1CCCC1
InChIInChI=1S/C6H14N2O.C2H6/c7-9-6-5-8-3-1-2-4-8;1-2/h1-7H2;1-2H3
InChIKeyZRYJXMJAETXKAE-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.00
Rot. Bonds3

About ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine

ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine (PubChem CID 144617995) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine.

Molecular Properties

Compound Nameethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine
PubChem CID144617995
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Nameethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine
SMILESCC.NOCCN1CCCC1
InChIInChI=1S/C6H14N2O.C2H6/c7-9-6-5-8-3-1-2-4-8;1-2/h1-7H2;1-2H3
InChIKeyZRYJXMJAETXKAE-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.00
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 ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine?
The IUPAC name of ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine (CID 144617995) is ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine.
What is the SMILES notation for ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine?
The canonical SMILES for ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine is CC.NOCCN1CCCC1.
What is the InChIKey of ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine?
The InChIKey is ZRYJXMJAETXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c7-9-6-5-8-3-1-2-4-8;1-2/h1-7H2;1-2H3.
What are the key properties of ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine?
ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine has a molecular weight of 160.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine is sourced from PubChem (CID 144617995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).