N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide

C6H15N3O — CID 156620436

IUPACN-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
SMILESCCN(CCN(C)C)N=O
InChIInChI=1S/C6H15N3O/c1-4-9(7-10)6-5-8(2)3/h4-6H2,1-3H3
InChIKeyCHNAHEBRBOTHTF-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.55
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide

N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide (PubChem CID 156620436) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
PubChem CID156620436
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
SMILESCCN(CCN(C)C)N=O
InChIInChI=1S/C6H15N3O/c1-4-9(7-10)6-5-8(2)3/h4-6H2,1-3H3
InChIKeyCHNAHEBRBOTHTF-UHFFFAOYSA-N
XLogP0.55
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
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N,N-dibutylnitrous amide;N,N-dimethylnitrous amide
CID 159809531
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
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N-(1,2-13C2)ethyl-N-(113C)methylnitrous amide
CID 171380411
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058
N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
CID 126705131
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
CID 25806

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide (CID 156620436) is N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide is CCN(CCN(C)C)N=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide?
The InChIKey is CHNAHEBRBOTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4-9(7-10)6-5-8(2)3/h4-6H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide?
N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide has a molecular weight of 145.21 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide is sourced from PubChem (CID 156620436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).