N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine

C5H12N4O2 — CID 57157870

IUPACN,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine
SMILESCNCCC(N=O)(N=O)NC
InChIInChI=1S/C5H12N4O2/c1-6-4-3-5(7-2,8-10)9-11/h6-7H,3-4H2,1-2H3
InChIKeyQOKPGFBCIURERT-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.00
Rot. Bonds6

About N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine

N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine (PubChem CID 57157870) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine
PubChem CID57157870
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC NameN,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine
SMILESCNCCC(N=O)(N=O)NC
InChIInChI=1S/C5H12N4O2/c1-6-4-3-5(7-2,8-10)9-11/h6-7H,3-4H2,1-2H3
InChIKeyQOKPGFBCIURERT-UHFFFAOYSA-N
XLogP0.00
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23617309
N-(nitrosomethyl)butan-1-amine
CID 23618690
N-nitrosopropylmethylamine
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N-methyl-1-nitrosobutan-1-amine
CID 21316013
N,N'-dimethyl-1,2-dinitrosoethane-1,2-diamine
CID 21404118
1-N,2-N-dimethyl-1,1-dinitrosopropane-1,2-diamine
CID 53965870
N,N'-dimethyl-1,1-dinitrosoethane-1,2-diamine
CID 54276678
3-nitroso-N-propylpropan-1-amine
CID 57449130
N-ethyl-3-nitrosopropan-1-amine
CID 71650609
N-methyl-1-nitrosopropane-1,3-diamine
CID 87688154
Ethyl-[3-(methylamino)propyl]-oxoazanium
CID 91372741
Methyl-oxo-(propylaminomethyl)azanium
CID 123154830

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine (CID 57157870) is N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine is CNCCC(N=O)(N=O)NC.
What is the InChIKey of N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine?
The InChIKey is QOKPGFBCIURERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-6-4-3-5(7-2,8-10)9-11/h6-7H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine?
N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine has a molecular weight of 160.18 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine is sourced from PubChem (CID 57157870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).