N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine

C10H15N3O — CID 89305977

IUPACN',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cccc(N=O)c1
InChIInChI=1S/C10H15N3O/c1-13(2)7-6-11-9-4-3-5-10(8-9)12-14/h3-5,8,11H,6-7H2,1-2H3
InChIKeyIJSMUSWUULUVBV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.06
Rot. Bonds5

About N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine (PubChem CID 89305977) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine
PubChem CID89305977
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cccc(N=O)c1
InChIInChI=1S/C10H15N3O/c1-13(2)7-6-11-9-4-3-5-10(8-9)12-14/h3-5,8,11H,6-7H2,1-2H3
InChIKeyIJSMUSWUULUVBV-UHFFFAOYSA-N
XLogP2.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(chloromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 65023741
CID 20978129
CID 20978129
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 22693559
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552
butyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096521
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
CID 3777935
N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 58816279
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997769
3-[4-[2-(dimethylamino)ethylamino]phenyl]prop-2-enal
CID 91134747
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine (CID 89305977) is N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine is CN(C)CCNc1cccc(N=O)c1.
What is the InChIKey of N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine?
The InChIKey is IJSMUSWUULUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(2)7-6-11-9-4-3-5-10(8-9)12-14/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine has a molecular weight of 193.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine is sourced from PubChem (CID 89305977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).