N,N-dihydroxybutan-1-amine

C4H11NO2 — CID 19871364

IUPACN,N-dihydroxybutan-1-amine
SMILESCCCCN(O)O
InChIInChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChIKeyMCVIWJKUKOOXNZ-UHFFFAOYSA-N
MW105.14 g/mol
LogP0.87
Rot. Bonds3

About N,N-dihydroxybutan-1-amine

N,N-dihydroxybutan-1-amine (PubChem CID 19871364) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is N,N-dihydroxybutan-1-amine.

Molecular Properties

Compound NameN,N-dihydroxybutan-1-amine
PubChem CID19871364
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC NameN,N-dihydroxybutan-1-amine
SMILESCCCCN(O)O
InChIInChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChIKeyMCVIWJKUKOOXNZ-UHFFFAOYSA-N
XLogP0.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N,N-dihydroxybutan-1-amine?
The IUPAC name of N,N-dihydroxybutan-1-amine (CID 19871364) is N,N-dihydroxybutan-1-amine.
What is the SMILES notation for N,N-dihydroxybutan-1-amine?
The canonical SMILES for N,N-dihydroxybutan-1-amine is CCCCN(O)O.
What is the InChIKey of N,N-dihydroxybutan-1-amine?
The InChIKey is MCVIWJKUKOOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3.
What are the key properties of N,N-dihydroxybutan-1-amine?
N,N-dihydroxybutan-1-amine has a molecular weight of 105.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxybutan-1-amine is sourced from PubChem (CID 19871364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).