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

C9H23N3 — CID 18196

IUPACN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCN(C)C
InChIInChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKeyUKODFQOELJFMII-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.04
Rot. Bonds6

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

N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 18196) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID18196
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCN(C)C
InChIInChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKeyUKODFQOELJFMII-UHFFFAOYSA-N
XLogP0.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine (CID 18196) is N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is UKODFQOELJFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.04, 6 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,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 18196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).