2-aminobutyl nitrite

C4H10N2O2 — CID 87072378

IUPAC2-aminobutyl nitrite
SMILESCCC(N)CON=O
InChIInChI=1S/C4H10N2O2/c1-2-4(5)3-8-6-7/h4H,2-3,5H2,1H3
InChIKeyWIAMMRVMQPIDHL-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.42
Rot. Bonds4

About 2-aminobutyl nitrite

2-aminobutyl nitrite (PubChem CID 87072378) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-aminobutyl nitrite.

Molecular Properties

Compound Name2-aminobutyl nitrite
PubChem CID87072378
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2-aminobutyl nitrite
SMILESCCC(N)CON=O
InChIInChI=1S/C4H10N2O2/c1-2-4(5)3-8-6-7/h4H,2-3,5H2,1H3
InChIKeyWIAMMRVMQPIDHL-UHFFFAOYSA-N
XLogP0.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminobutyl 2-methylpropanoate
CID 123412425
[(2R)-2-hydroxypropyl] nitrite
CID 150898470
ethyl nitrite
CID 8026
2-methylbutyl nitrite;3-methylbutyl nitrite
CID 24687
pentan-3-amine;hydroiodide
CID 173436389
2-aminobutyl hypochlorite;N,N-dimethylmethanamine
CID 88777297
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
CID 172681009
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
ethyl nitrite;silver
CID 174852186
2-(2-aminobutoxy)butanoic acid
CID 82352925
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
CID 58684150
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390

Frequently Asked Questions

What is the IUPAC name of 2-aminobutyl nitrite?
The IUPAC name of 2-aminobutyl nitrite (CID 87072378) is 2-aminobutyl nitrite.
What is the SMILES notation for 2-aminobutyl nitrite?
The canonical SMILES for 2-aminobutyl nitrite is CCC(N)CON=O.
What is the InChIKey of 2-aminobutyl nitrite?
The InChIKey is WIAMMRVMQPIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-2-4(5)3-8-6-7/h4H,2-3,5H2,1H3.
What are the key properties of 2-aminobutyl nitrite?
2-aminobutyl nitrite has a molecular weight of 118.14 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutyl nitrite is sourced from PubChem (CID 87072378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).