2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine

C9H23N3 — CID 59289836

IUPAC2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCCC(CNC)(CNC)CNC
InChIInChI=1S/C9H23N3/c1-5-9(6-10-2,7-11-3)8-12-4/h10-12H,5-8H2,1-4H3
InChIKeyWBIYACOWOQEVFY-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.04
Rot. Bonds7

About 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine

2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine (PubChem CID 59289836) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
PubChem CID59289836
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCCC(CNC)(CNC)CNC
InChIInChI=1S/C9H23N3/c1-5-9(6-10-2,7-11-3)8-12-4/h10-12H,5-8H2,1-4H3
InChIKeyWBIYACOWOQEVFY-UHFFFAOYSA-N
XLogP0.04
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine (CID 59289836) is 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine is CCC(CNC)(CNC)CNC.
What is the InChIKey of 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The InChIKey is WBIYACOWOQEVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-5-9(6-10-2,7-11-3)8-12-4/h10-12H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine is sourced from PubChem (CID 59289836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).