O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine

C8H18N2O — CID 117104669

IUPACO-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
SMILESCC(C)(CC1CCNC1)ON
InChIInChI=1S/C8H18N2O/c1-8(2,11-9)5-7-3-4-10-6-7/h7,10H,3-6,9H2,1-2H3
InChIKeyGNBIQSKUFSKVCP-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.65
Rot. Bonds3

About O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine

O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine (PubChem CID 117104669) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
PubChem CID117104669
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameO-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
SMILESCC(C)(CC1CCNC1)ON
InChIInChI=1S/C8H18N2O/c1-8(2,11-9)5-7-3-4-10-6-7/h7,10H,3-6,9H2,1-2H3
InChIKeyGNBIQSKUFSKVCP-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306
2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
CID 143374848
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
3-(2,2-dimethylpropyl)piperidine
CID 21041533
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814

Frequently Asked Questions

What is the IUPAC name of O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine?
The IUPAC name of O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine (CID 117104669) is O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine.
What is the SMILES notation for O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine?
The canonical SMILES for O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine is CC(C)(CC1CCNC1)ON.
What is the InChIKey of O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine?
The InChIKey is GNBIQSKUFSKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,11-9)5-7-3-4-10-6-7/h7,10H,3-6,9H2,1-2H3.
What are the key properties of O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine?
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine has a molecular weight of 158.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 117104669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).