2-methyl-1,3-dinitrosopropan-2-amine

C4H9N3O2 — CID 90208794

IUPAC2-methyl-1,3-dinitrosopropan-2-amine
SMILESCC(N)(CN=O)CN=O
InChIInChI=1S/C4H9N3O2/c1-4(5,2-6-8)3-7-9/h2-3,5H2,1H3
InChIKeyNATZZXKKBAWQQS-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.24
Rot. Bonds4

About 2-methyl-1,3-dinitrosopropan-2-amine

2-methyl-1,3-dinitrosopropan-2-amine (PubChem CID 90208794) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-methyl-1,3-dinitrosopropan-2-amine.

Molecular Properties

Compound Name2-methyl-1,3-dinitrosopropan-2-amine
PubChem CID90208794
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name2-methyl-1,3-dinitrosopropan-2-amine
SMILESCC(N)(CN=O)CN=O
InChIInChI=1S/C4H9N3O2/c1-4(5,2-6-8)3-7-9/h2-3,5H2,1H3
InChIKeyNATZZXKKBAWQQS-UHFFFAOYSA-N
XLogP0.24
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dinitrosopropan-2-amine?
The IUPAC name of 2-methyl-1,3-dinitrosopropan-2-amine (CID 90208794) is 2-methyl-1,3-dinitrosopropan-2-amine.
What is the SMILES notation for 2-methyl-1,3-dinitrosopropan-2-amine?
The canonical SMILES for 2-methyl-1,3-dinitrosopropan-2-amine is CC(N)(CN=O)CN=O.
What is the InChIKey of 2-methyl-1,3-dinitrosopropan-2-amine?
The InChIKey is NATZZXKKBAWQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-4(5,2-6-8)3-7-9/h2-3,5H2,1H3.
What are the key properties of 2-methyl-1,3-dinitrosopropan-2-amine?
2-methyl-1,3-dinitrosopropan-2-amine has a molecular weight of 131.13 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dinitrosopropan-2-amine is sourced from PubChem (CID 90208794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).