2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide

C10H24ClN5O3 — CID 159949858

IUPAC2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide
SMILESCCC(=O)N(C)N=O.CN(C)CCCl.CN(C)N=O
InChIInChI=1S/C4H10ClN.C4H8N2O2.C2H6N2O/c1-6(2)4-3-5;1-3-4(7)6(2)5-8;1-4(2)3-5/h3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOBYTXWLZKYMLMX-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.55
Rot. Bonds5

About 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide

2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide (PubChem CID 159949858) has the molecular formula C10H24ClN5O3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide
PubChem CID159949858
Molecular FormulaC10H24ClN5O3
Molecular Weight297.79 g/mol
Exact Mass297.16
IUPAC Name2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide
SMILESCCC(=O)N(C)N=O.CN(C)CCCl.CN(C)N=O
InChIInChI=1S/C4H10ClN.C4H8N2O2.C2H6N2O/c1-6(2)4-3-5;1-3-4(7)6(2)5-8;1-4(2)3-5/h3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOBYTXWLZKYMLMX-UHFFFAOYSA-N
XLogP1.55
TPSA85.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
N-methyl-N-nitrosooctanamide
CID 27396
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
[2-chloroethyl(propanoyloxy)amino] propanoate
CID 135313522
2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 132888355
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657
bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
CID 6397018
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-acetyl-N-methylpropanamide;ethane
CID 143328121
acetic acid;2-chloro-N-(2-chloroethyl)-N-methylethanamine
CID 155047946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide?
The IUPAC name of 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide (CID 159949858) is 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide.
What is the SMILES notation for 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide?
The canonical SMILES for 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide is CCC(=O)N(C)N=O.CN(C)CCCl.CN(C)N=O.
What is the InChIKey of 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide?
The InChIKey is OBYTXWLZKYMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.C4H8N2O2.C2H6N2O/c1-6(2)4-3-5;1-3-4(7)6(2)5-8;1-4(2)3-5/h3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide?
2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide has a molecular weight of 297.79 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide is sourced from PubChem (CID 159949858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).