3,4-diaminobutan-1-ol

C4H12N2O — CID 14366842

IUPAC3,4-diaminobutan-1-ol
SMILESNCC(N)CCO
InChIInChI=1S/C4H12N2O/c5-3-4(6)1-2-7/h4,7H,1-3,5-6H2
InChIKeyWIYMETYMVDXKRR-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.35
Rot. Bonds3

About 3,4-diaminobutan-1-ol

3,4-diaminobutan-1-ol (PubChem CID 14366842) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 3,4-diaminobutan-1-ol.

Molecular Properties

Compound Name3,4-diaminobutan-1-ol
PubChem CID14366842
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name3,4-diaminobutan-1-ol
SMILESNCC(N)CCO
InChIInChI=1S/C4H12N2O/c5-3-4(6)1-2-7/h4,7H,1-3,5-6H2
InChIKeyWIYMETYMVDXKRR-UHFFFAOYSA-N
XLogP-1.35
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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 3,4-diaminobutan-1-ol?
The IUPAC name of 3,4-diaminobutan-1-ol (CID 14366842) is 3,4-diaminobutan-1-ol.
What is the SMILES notation for 3,4-diaminobutan-1-ol?
The canonical SMILES for 3,4-diaminobutan-1-ol is NCC(N)CCO.
What is the InChIKey of 3,4-diaminobutan-1-ol?
The InChIKey is WIYMETYMVDXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c5-3-4(6)1-2-7/h4,7H,1-3,5-6H2.
What are the key properties of 3,4-diaminobutan-1-ol?
3,4-diaminobutan-1-ol has a molecular weight of 104.15 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminobutan-1-ol is sourced from PubChem (CID 14366842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).