3-[amino(methyl)amino]-2-methylpropan-1-ol

C5H14N2O — CID 105427148

IUPAC3-[amino(methyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(C)N
InChIInChI=1S/C5H14N2O/c1-5(4-8)3-7(2)6/h5,8H,3-4,6H2,1-2H3
InChIKeyRIXYRGWUNOSIMD-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.58
Rot. Bonds3

About 3-[amino(methyl)amino]-2-methylpropan-1-ol

3-[amino(methyl)amino]-2-methylpropan-1-ol (PubChem CID 105427148) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[amino(methyl)amino]-2-methylpropan-1-ol
PubChem CID105427148
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3-[amino(methyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(C)N
InChIInChI=1S/C5H14N2O/c1-5(4-8)3-7(2)6/h5,8H,3-4,6H2,1-2H3
InChIKeyRIXYRGWUNOSIMD-UHFFFAOYSA-N
XLogP-0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[amino(methyl)amino]-2-methylpropan-1-ol (CID 105427148) is 3-[amino(methyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[amino(methyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[amino(methyl)amino]-2-methylpropan-1-ol is CC(CO)CN(C)N.
What is the InChIKey of 3-[amino(methyl)amino]-2-methylpropan-1-ol?
The InChIKey is RIXYRGWUNOSIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(4-8)3-7(2)6/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 3-[amino(methyl)amino]-2-methylpropan-1-ol?
3-[amino(methyl)amino]-2-methylpropan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 105427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).