2-[(hydroxyamino)-methylamino]propan-1-ol

C4H12N2O2 — CID 123757066

IUPAC2-[(hydroxyamino)-methylamino]propan-1-ol
SMILESCC(CO)N(C)NO
InChIInChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3
InChIKeyBTQXOLVJCGOVLO-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.81
Rot. Bonds3

About 2-[(hydroxyamino)-methylamino]propan-1-ol

2-[(hydroxyamino)-methylamino]propan-1-ol (PubChem CID 123757066) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-[(hydroxyamino)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(hydroxyamino)-methylamino]propan-1-ol
PubChem CID123757066
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name2-[(hydroxyamino)-methylamino]propan-1-ol
SMILESCC(CO)N(C)NO
InChIInChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3
InChIKeyBTQXOLVJCGOVLO-UHFFFAOYSA-N
XLogP-0.81
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
CID 144890073
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
1-hydroxypropan-2-yl(methyl)cyanamide
CID 104551890
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 104554164
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
CID 155038056

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)-methylamino]propan-1-ol?
The IUPAC name of 2-[(hydroxyamino)-methylamino]propan-1-ol (CID 123757066) is 2-[(hydroxyamino)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(hydroxyamino)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(hydroxyamino)-methylamino]propan-1-ol is CC(CO)N(C)NO.
What is the InChIKey of 2-[(hydroxyamino)-methylamino]propan-1-ol?
The InChIKey is BTQXOLVJCGOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 2-[(hydroxyamino)-methylamino]propan-1-ol?
2-[(hydroxyamino)-methylamino]propan-1-ol has a molecular weight of 120.15 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)-methylamino]propan-1-ol is sourced from PubChem (CID 123757066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).