1-chloroethanamine;N,N-dimethylmethanamine

C5H15ClN2 — CID 87752765

IUPAC1-chloroethanamine;N,N-dimethylmethanamine
SMILESCC(N)Cl.CN(C)C
InChIInChI=1S/C3H9N.C2H6ClN/c1-4(2)3;1-2(3)4/h1-3H3;2H,4H2,1H3
InChIKeyBTDLLXIHUDJADG-UHFFFAOYSA-N
MW138.64 g/mol
LogP0.71
Rot. Bonds

About 1-chloroethanamine;N,N-dimethylmethanamine

1-chloroethanamine;N,N-dimethylmethanamine (PubChem CID 87752765) has the molecular formula C5H15ClN2 and a molecular weight of 138.64 g/mol. Its IUPAC name is 1-chloroethanamine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-chloroethanamine;N,N-dimethylmethanamine
PubChem CID87752765
Molecular FormulaC5H15ClN2
Molecular Weight138.64 g/mol
Exact Mass138.09
IUPAC Name1-chloroethanamine;N,N-dimethylmethanamine
SMILESCC(N)Cl.CN(C)C
InChIInChI=1S/C3H9N.C2H6ClN/c1-4(2)3;1-2(3)4/h1-3H3;2H,4H2,1H3
InChIKeyBTDLLXIHUDJADG-UHFFFAOYSA-N
XLogP0.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2-Chloroethyl)dimethylamine, chloride
CID 20717
2-Dimethylammonioethyl chloride
CID 3451792
N'-(2-chloroethyl)-N'-methylethane-1,2-diamine
CID 16720081
3-Chlorodiethylamine
CID 20394610
2-Chloroethyl(dimethyl)azanium chloride
CID 59159888
2-Chloroethyl(diethyl)azanium
CID 6992605
2-chloropropan-1-amine;N-methylmethanamine
CID 20161757
N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine
CID 21419871
1-chloro-N-methylethanamine
CID 21445416
2-Chloroethyl-ethyl-methylazanium
CID 38988928
1-chloro-N,N-dimethylpropane-1,3-diamine
CID 56979251
(1-Amino-2-chloroethyl)-trimethylazanium
CID 57066096

Frequently Asked Questions

What is the IUPAC name of 1-chloroethanamine;N,N-dimethylmethanamine?
The IUPAC name of 1-chloroethanamine;N,N-dimethylmethanamine (CID 87752765) is 1-chloroethanamine;N,N-dimethylmethanamine.
What is the SMILES notation for 1-chloroethanamine;N,N-dimethylmethanamine?
The canonical SMILES for 1-chloroethanamine;N,N-dimethylmethanamine is CC(N)Cl.CN(C)C.
What is the InChIKey of 1-chloroethanamine;N,N-dimethylmethanamine?
The InChIKey is BTDLLXIHUDJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H6ClN/c1-4(2)3;1-2(3)4/h1-3H3;2H,4H2,1H3.
What are the key properties of 1-chloroethanamine;N,N-dimethylmethanamine?
1-chloroethanamine;N,N-dimethylmethanamine has a molecular weight of 138.64 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethanamine;N,N-dimethylmethanamine is sourced from PubChem (CID 87752765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).