N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine

C6H15ClN2 — CID 21419871

IUPACN-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(Cl)NCCN(C)C
InChIInChI=1S/C6H15ClN2/c1-6(7)8-4-5-9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyXFKWVVBAQHUYCX-UHFFFAOYSA-N
MW150.65 g/mol
LogP0.72
Rot. Bonds4

About N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine

N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 21419871) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID21419871
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC NameN-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(Cl)NCCN(C)C
InChIInChI=1S/C6H15ClN2/c1-6(7)8-4-5-9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyXFKWVVBAQHUYCX-UHFFFAOYSA-N
XLogP0.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 50.72
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'}

Analyze N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine (CID 21419871) is N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine is CC(Cl)NCCN(C)C.
What is the InChIKey of N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XFKWVVBAQHUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2/c1-6(7)8-4-5-9(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine?
N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 150.65 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloroethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 21419871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).