N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine

C13H31N3 — CID 20621536

IUPACN,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
SMILESCCCN(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6-13H2,1-5H3
InChIKeyIWWYIPXDFXILQP-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.60
Rot. Bonds10

About N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine (PubChem CID 20621536) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
PubChem CID20621536
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
SMILESCCCN(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6-13H2,1-5H3
InChIKeyIWWYIPXDFXILQP-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078
N-methyl-N-propyldecan-1-amine
CID 13122225
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine (CID 20621536) is N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine is CCCN(C)CCCN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine?
The InChIKey is IWWYIPXDFXILQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6-13H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 20621536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).