ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine

C7H18N2O — CID 176573194

IUPACethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine
SMILESCC.NOCC1CCNC1
InChIInChI=1S/C5H12N2O.C2H6/c6-8-4-5-1-2-7-3-5;1-2/h5,7H,1-4,6H2;1-2H3
InChIKeyYSITUFNFAFLVSA-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.51
Rot. Bonds2

About ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine

ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine (PubChem CID 176573194) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine.

Molecular Properties

Compound Nameethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine
PubChem CID176573194
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Nameethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine
SMILESCC.NOCC1CCNC1
InChIInChI=1S/C5H12N2O.C2H6/c6-8-4-5-1-2-7-3-5;1-2/h5,7H,1-4,6H2;1-2H3
InChIKeyYSITUFNFAFLVSA-UHFFFAOYSA-N
XLogP0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-(pyrrolidin-3-ylmethyl)hydroxylamine?
The IUPAC name of ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine (CID 176573194) is ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine.
What is the SMILES notation for ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine?
The canonical SMILES for ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine is CC.NOCC1CCNC1.
What is the InChIKey of ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine?
The InChIKey is YSITUFNFAFLVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c6-8-4-5-1-2-7-3-5;1-2/h5,7H,1-4,6H2;1-2H3.
What are the key properties of ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine?
ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine has a molecular weight of 146.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-(pyrrolidin-3-ylmethyl)hydroxylamine is sourced from PubChem (CID 176573194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).