2-N,2-N-dihydroxybutane-1,2-diamine

C4H12N2O2 — CID 54320006

IUPAC2-N,2-N-dihydroxybutane-1,2-diamine
SMILESCCC(CN)N(O)O
InChIInChI=1S/C4H12N2O2/c1-2-4(3-5)6(7)8/h4,7-8H,2-3,5H2,1H3
InChIKeySQYNBJLSZFETKG-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.20
Rot. Bonds3

About 2-N,2-N-dihydroxybutane-1,2-diamine

2-N,2-N-dihydroxybutane-1,2-diamine (PubChem CID 54320006) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-N,2-N-dihydroxybutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dihydroxybutane-1,2-diamine
PubChem CID54320006
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name2-N,2-N-dihydroxybutane-1,2-diamine
SMILESCCC(CN)N(O)O
InChIInChI=1S/C4H12N2O2/c1-2-4(3-5)6(7)8/h4,7-8H,2-3,5H2,1H3
InChIKeySQYNBJLSZFETKG-UHFFFAOYSA-N
XLogP-0.20
TPSA69.72 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 ≤ 5-0.20
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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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dihydroxybutane-1,2-diamine?
The IUPAC name of 2-N,2-N-dihydroxybutane-1,2-diamine (CID 54320006) is 2-N,2-N-dihydroxybutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dihydroxybutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dihydroxybutane-1,2-diamine is CCC(CN)N(O)O.
What is the InChIKey of 2-N,2-N-dihydroxybutane-1,2-diamine?
The InChIKey is SQYNBJLSZFETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-2-4(3-5)6(7)8/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 2-N,2-N-dihydroxybutane-1,2-diamine?
2-N,2-N-dihydroxybutane-1,2-diamine has a molecular weight of 120.15 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dihydroxybutane-1,2-diamine is sourced from PubChem (CID 54320006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).