2,3-diamino-2-methylpropan-1-ol

C4H12N2O — CID 22320975

IUPAC2,3-diamino-2-methylpropan-1-ol
SMILESCC(N)(CN)CO
InChIInChI=1S/C4H12N2O/c1-4(6,2-5)3-7/h7H,2-3,5-6H2,1H3
InChIKeyRLTZVHMKZWOFPG-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.35
Rot. Bonds2

About 2,3-diamino-2-methylpropan-1-ol

2,3-diamino-2-methylpropan-1-ol (PubChem CID 22320975) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 2,3-diamino-2-methylpropan-1-ol.

Molecular Properties

Compound Name2,3-diamino-2-methylpropan-1-ol
PubChem CID22320975
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name2,3-diamino-2-methylpropan-1-ol
SMILESCC(N)(CN)CO
InChIInChI=1S/C4H12N2O/c1-4(6,2-5)3-7/h7H,2-3,5-6H2,1H3
InChIKeyRLTZVHMKZWOFPG-UHFFFAOYSA-N
XLogP-1.35
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-methylpropan-1-ol?
The IUPAC name of 2,3-diamino-2-methylpropan-1-ol (CID 22320975) is 2,3-diamino-2-methylpropan-1-ol.
What is the SMILES notation for 2,3-diamino-2-methylpropan-1-ol?
The canonical SMILES for 2,3-diamino-2-methylpropan-1-ol is CC(N)(CN)CO.
What is the InChIKey of 2,3-diamino-2-methylpropan-1-ol?
The InChIKey is RLTZVHMKZWOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-4(6,2-5)3-7/h7H,2-3,5-6H2,1H3.
What are the key properties of 2,3-diamino-2-methylpropan-1-ol?
2,3-diamino-2-methylpropan-1-ol has a molecular weight of 104.15 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-methylpropan-1-ol is sourced from PubChem (CID 22320975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).