N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane

C17H45N3 — CID 171793143

IUPACN'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
SMILESCC.CC.CC.CN(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C11H27N3.3C2H6/c1-12(2)8-6-10-14(5)11-7-9-13(3)4;3*1-2/h6-11H2,1-5H3;3*1-2H3
InChIKeyMCOOEVQLWOMPIR-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.90
Rot. Bonds8

About N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane

N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane (PubChem CID 171793143) has the molecular formula C17H45N3 and a molecular weight of 291.57 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
PubChem CID171793143
Molecular FormulaC17H45N3
Molecular Weight291.57 g/mol
Exact Mass291.36
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
SMILESCC.CC.CC.CN(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C11H27N3.3C2H6/c1-12(2)8-6-10-14(5)11-7-9-13(3)4;3*1-2/h6-11H2,1-5H3;3*1-2H3
InChIKeyMCOOEVQLWOMPIR-UHFFFAOYSA-N
XLogP3.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
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
N'-[2-[alumanyl(methyl)amino]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 156656260
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane (CID 171793143) is N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane is CC.CC.CC.CN(C)CCCN(C)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane?
The InChIKey is MCOOEVQLWOMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3.3C2H6/c1-12(2)8-6-10-14(5)11-7-9-13(3)4;3*1-2/h6-11H2,1-5H3;3*1-2H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane?
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane has a molecular weight of 291.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane is sourced from PubChem (CID 171793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).