3-methyl-3-nitrosobutan-2-amine

C5H12N2O — CID 154515582

IUPAC3-methyl-3-nitrosobutan-2-amine
SMILESCC(N)C(C)(C)N=O
InChIInChI=1S/C5H12N2O/c1-4(6)5(2,3)7-8/h4H,6H2,1-3H3
InChIKeyJHVUYWNPVWMVLJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.88
Rot. Bonds2

About 3-methyl-3-nitrosobutan-2-amine

3-methyl-3-nitrosobutan-2-amine (PubChem CID 154515582) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methyl-3-nitrosobutan-2-amine.

Molecular Properties

Compound Name3-methyl-3-nitrosobutan-2-amine
PubChem CID154515582
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-methyl-3-nitrosobutan-2-amine
SMILESCC(N)C(C)(C)N=O
InChIInChI=1S/C5H12N2O/c1-4(6)5(2,3)7-8/h4H,6H2,1-3H3
InChIKeyJHVUYWNPVWMVLJ-UHFFFAOYSA-N
XLogP0.88
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3-methyl-3-nitrosobutan-2-amine?
The IUPAC name of 3-methyl-3-nitrosobutan-2-amine (CID 154515582) is 3-methyl-3-nitrosobutan-2-amine.
What is the SMILES notation for 3-methyl-3-nitrosobutan-2-amine?
The canonical SMILES for 3-methyl-3-nitrosobutan-2-amine is CC(N)C(C)(C)N=O.
What is the InChIKey of 3-methyl-3-nitrosobutan-2-amine?
The InChIKey is JHVUYWNPVWMVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(6)5(2,3)7-8/h4H,6H2,1-3H3.
What are the key properties of 3-methyl-3-nitrosobutan-2-amine?
3-methyl-3-nitrosobutan-2-amine has a molecular weight of 116.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-nitrosobutan-2-amine is sourced from PubChem (CID 154515582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).