3-nitrosobutan-2-amine

C4H10N2O — CID 54419441

IUPAC3-nitrosobutan-2-amine
SMILESCC(N)C(C)N=O
InChIInChI=1S/C4H10N2O/c1-3(5)4(2)6-7/h3-4H,5H2,1-2H3
InChIKeyVZSYCZAGCDMPLK-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.49
Rot. Bonds2

About 3-nitrosobutan-2-amine

3-nitrosobutan-2-amine (PubChem CID 54419441) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 3-nitrosobutan-2-amine.

Molecular Properties

Compound Name3-nitrosobutan-2-amine
PubChem CID54419441
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name3-nitrosobutan-2-amine
SMILESCC(N)C(C)N=O
InChIInChI=1S/C4H10N2O/c1-3(5)4(2)6-7/h3-4H,5H2,1-2H3
InChIKeyVZSYCZAGCDMPLK-UHFFFAOYSA-N
XLogP0.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-nitrosobutan-2-amine?
The IUPAC name of 3-nitrosobutan-2-amine (CID 54419441) is 3-nitrosobutan-2-amine.
What is the SMILES notation for 3-nitrosobutan-2-amine?
The canonical SMILES for 3-nitrosobutan-2-amine is CC(N)C(C)N=O.
What is the InChIKey of 3-nitrosobutan-2-amine?
The InChIKey is VZSYCZAGCDMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(5)4(2)6-7/h3-4H,5H2,1-2H3.
What are the key properties of 3-nitrosobutan-2-amine?
3-nitrosobutan-2-amine has a molecular weight of 102.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosobutan-2-amine is sourced from PubChem (CID 54419441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).