1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine

C9H21N3 — CID 88571044

IUPAC1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
SMILESC=C(N(C)C)N(C)CCN(C)C
InChIInChI=1S/C9H21N3/c1-9(11(4)5)12(6)8-7-10(2)3/h1,7-8H2,2-6H3
InChIKeyIKKQBQFWJSKLET-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.51
Rot. Bonds5

About 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine

1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine (PubChem CID 88571044) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
PubChem CID88571044
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
SMILESC=C(N(C)C)N(C)CCN(C)C
InChIInChI=1S/C9H21N3/c1-9(11(4)5)12(6)8-7-10(2)3/h1,7-8H2,2-6H3
InChIKeyIKKQBQFWJSKLET-UHFFFAOYSA-N
XLogP0.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-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 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine?
The IUPAC name of 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine (CID 88571044) is 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine is C=C(N(C)C)N(C)CCN(C)C.
What is the InChIKey of 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine?
The InChIKey is IKKQBQFWJSKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(11(4)5)12(6)8-7-10(2)3/h1,7-8H2,2-6H3.
What are the key properties of 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine?
1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine is sourced from PubChem (CID 88571044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).