N-dodecyl-N',N'-dimethylpropane-1,3-diamine

C17H38N2 — CID 55195797

IUPACN-dodecyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCCCNCCCN(C)C
InChIInChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(2)3/h18H,4-17H2,1-3H3
InChIKeyRJQTZOGDLHBTNY-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.45
Rot. Bonds15

About N-dodecyl-N',N'-dimethylpropane-1,3-diamine

N-dodecyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 55195797) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N-dodecyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-dodecyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID55195797
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN-dodecyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCCCNCCCN(C)C
InChIInChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(2)3/h18H,4-17H2,1-3H3
InChIKeyRJQTZOGDLHBTNY-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-dodecyl-N',N'-dimethylpropane-1,3-diamine (CID 55195797) is N-dodecyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-dodecyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-dodecyl-N',N'-dimethylpropane-1,3-diamine is CCCCCCCCCCCCNCCCN(C)C.
What is the InChIKey of N-dodecyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RJQTZOGDLHBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(2)3/h18H,4-17H2,1-3H3.
What are the key properties of N-dodecyl-N',N'-dimethylpropane-1,3-diamine?
N-dodecyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.45, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 55195797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).