N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine

C13H32N4 — CID 10999288

IUPACN,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCNCCCN(C)C
InChIInChI=1S/C13H32N4/c1-16(2)12-6-10-14-8-5-9-15-11-7-13-17(3)4/h14-15H,5-13H2,1-4H3
InChIKeyFGWZSOOXFHSWBK-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.46
Rot. Bonds12

About N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine (PubChem CID 10999288) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
PubChem CID10999288
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCNCCCN(C)C
InChIInChI=1S/C13H32N4/c1-16(2)12-6-10-14-8-5-9-15-11-7-13-17(3)4/h14-15H,5-13H2,1-4H3
InChIKeyFGWZSOOXFHSWBK-UHFFFAOYSA-N
XLogP0.46
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
CID 87932680
N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
CID 88890905

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine (CID 10999288) is N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine is CN(C)CCCNCCCNCCCN(C)C.
What is the InChIKey of N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine?
The InChIKey is FGWZSOOXFHSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-16(2)12-6-10-14-8-5-9-15-11-7-13-17(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine?
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine has a molecular weight of 244.43 g/mol, XLogP of 0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 10999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).