1-hydroxypropan-2-yl(methyl)cyanamide

C5H10N2O — CID 104551890

IUPAC1-hydroxypropan-2-yl(methyl)cyanamide
SMILESCC(CO)N(C)C#N
InChIInChI=1S/C5H10N2O/c1-5(3-8)7(2)4-6/h5,8H,3H2,1-2H3
InChIKeyRNUVMNYHYKZCAG-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.22
Rot. Bonds2

About 1-hydroxypropan-2-yl(methyl)cyanamide

1-hydroxypropan-2-yl(methyl)cyanamide (PubChem CID 104551890) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl(methyl)cyanamide.

Molecular Properties

Compound Name1-hydroxypropan-2-yl(methyl)cyanamide
PubChem CID104551890
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-hydroxypropan-2-yl(methyl)cyanamide
SMILESCC(CO)N(C)C#N
InChIInChI=1S/C5H10N2O/c1-5(3-8)7(2)4-6/h5,8H,3H2,1-2H3
InChIKeyRNUVMNYHYKZCAG-UHFFFAOYSA-N
XLogP-0.22
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

hexan-2-yl(methyl)cyanamide
CID 130581220
methyl(pentan-3-yl)cyanamide
CID 87839420
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
CID 144890073
2-[(hydroxyamino)-methylamino]propan-1-ol
CID 123757066
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 104551892
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl(methyl)cyanamide?
The IUPAC name of 1-hydroxypropan-2-yl(methyl)cyanamide (CID 104551890) is 1-hydroxypropan-2-yl(methyl)cyanamide.
What is the SMILES notation for 1-hydroxypropan-2-yl(methyl)cyanamide?
The canonical SMILES for 1-hydroxypropan-2-yl(methyl)cyanamide is CC(CO)N(C)C#N.
What is the InChIKey of 1-hydroxypropan-2-yl(methyl)cyanamide?
The InChIKey is RNUVMNYHYKZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(3-8)7(2)4-6/h5,8H,3H2,1-2H3.
What are the key properties of 1-hydroxypropan-2-yl(methyl)cyanamide?
1-hydroxypropan-2-yl(methyl)cyanamide has a molecular weight of 114.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl(methyl)cyanamide is sourced from PubChem (CID 104551890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).