N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine

C13H32N4 — CID 547219

IUPACN,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCN(C)CCCN(C)CCN(C)C
InChIInChI=1S/C13H32N4/c1-14(2)10-12-16(5)8-7-9-17(6)13-11-15(3)4/h7-13H2,1-6H3
InChIKeyJKCHLHLFXZUVDS-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.36
Rot. Bonds10

About N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine

N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 547219) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID547219
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCN(C)CCCN(C)CCN(C)C
InChIInChI=1S/C13H32N4/c1-14(2)10-12-16(5)8-7-9-17(6)13-11-15(3)4/h7-13H2,1-6H3
InChIKeyJKCHLHLFXZUVDS-UHFFFAOYSA-N
XLogP0.36
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
N'-[2-[alumanyl(methyl)amino]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 156656260
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
dichlorocopper;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 15303380
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
N'-[2-[bis[2-[bis[2-(dimethylamino)ethyl]amino]ethyl]amino]ethyl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N,N,N',N'-tetrakis[2-(dimethylamino)ethyl]propane-1,3-diamine
CID 160549747

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine (CID 547219) is N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine is CN(C)CCN(C)CCCN(C)CCN(C)C.
What is the InChIKey of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is JKCHLHLFXZUVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-14(2)10-12-16(5)8-7-9-17(6)13-11-15(3)4/h7-13H2,1-6H3.
What are the key properties of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 244.43 g/mol, XLogP of 0.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).