N,N-dimethyl-2,3-dinitrosopropan-1-amine

C5H11N3O2 — CID 143697252

IUPACN,N-dimethyl-2,3-dinitrosopropan-1-amine
SMILESCN(C)CC(CN=O)N=O
InChIInChI=1S/C5H11N3O2/c1-8(2)4-5(7-10)3-6-9/h5H,3-4H2,1-2H3
InChIKeyWMVCBYYYGMLPLB-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.45
Rot. Bonds5

About N,N-dimethyl-2,3-dinitrosopropan-1-amine

N,N-dimethyl-2,3-dinitrosopropan-1-amine (PubChem CID 143697252) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dinitrosopropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dinitrosopropan-1-amine
PubChem CID143697252
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethyl-2,3-dinitrosopropan-1-amine
SMILESCN(C)CC(CN=O)N=O
InChIInChI=1S/C5H11N3O2/c1-8(2)4-5(7-10)3-6-9/h5H,3-4H2,1-2H3
InChIKeyWMVCBYYYGMLPLB-UHFFFAOYSA-N
XLogP0.45
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dinitrosopropan-1-amine?
The IUPAC name of N,N-dimethyl-2,3-dinitrosopropan-1-amine (CID 143697252) is N,N-dimethyl-2,3-dinitrosopropan-1-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dinitrosopropan-1-amine?
The canonical SMILES for N,N-dimethyl-2,3-dinitrosopropan-1-amine is CN(C)CC(CN=O)N=O.
What is the InChIKey of N,N-dimethyl-2,3-dinitrosopropan-1-amine?
The InChIKey is WMVCBYYYGMLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-8(2)4-5(7-10)3-6-9/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dinitrosopropan-1-amine?
N,N-dimethyl-2,3-dinitrosopropan-1-amine has a molecular weight of 145.16 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dinitrosopropan-1-amine is sourced from PubChem (CID 143697252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).