2-methyl-4-nitrosobutan-2-amine

C5H12N2O — CID 123203684

IUPAC2-methyl-4-nitrosobutan-2-amine
SMILESCC(C)(N)CCN=O
InChIInChI=1S/C5H12N2O/c1-5(2,6)3-4-7-8/h3-4,6H2,1-2H3
InChIKeyHWMJWVIQBMGEQK-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-4-nitrosobutan-2-amine

2-methyl-4-nitrosobutan-2-amine (PubChem CID 123203684) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methyl-4-nitrosobutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-nitrosobutan-2-amine
PubChem CID123203684
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-methyl-4-nitrosobutan-2-amine
SMILESCC(C)(N)CCN=O
InChIInChI=1S/C5H12N2O/c1-5(2,6)3-4-7-8/h3-4,6H2,1-2H3
InChIKeyHWMJWVIQBMGEQK-UHFFFAOYSA-N
XLogP0.88
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitrosobutan-2-amine?
The IUPAC name of 2-methyl-4-nitrosobutan-2-amine (CID 123203684) is 2-methyl-4-nitrosobutan-2-amine.
What is the SMILES notation for 2-methyl-4-nitrosobutan-2-amine?
The canonical SMILES for 2-methyl-4-nitrosobutan-2-amine is CC(C)(N)CCN=O.
What is the InChIKey of 2-methyl-4-nitrosobutan-2-amine?
The InChIKey is HWMJWVIQBMGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2,6)3-4-7-8/h3-4,6H2,1-2H3.
What are the key properties of 2-methyl-4-nitrosobutan-2-amine?
2-methyl-4-nitrosobutan-2-amine has a molecular weight of 116.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitrosobutan-2-amine is sourced from PubChem (CID 123203684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).