N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine

C13H31N3 — CID 62560197

IUPACN',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
SMILESCCCCCN(C)CCNCCCN(C)C
InChIInChI=1S/C13H31N3/c1-5-6-7-12-16(4)13-10-14-9-8-11-15(2)3/h14H,5-13H2,1-4H3
InChIKeyNKGNWPVCUVSWFU-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds11

About N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine (PubChem CID 62560197) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
PubChem CID62560197
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
SMILESCCCCCN(C)CCNCCCN(C)C
InChIInChI=1S/C13H31N3/c1-5-6-7-12-16(4)13-10-14-9-8-11-15(2)3/h14H,5-13H2,1-4H3
InChIKeyNKGNWPVCUVSWFU-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 90738299
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine (CID 62560197) is N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine is CCCCCN(C)CCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine?
The InChIKey is NKGNWPVCUVSWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-5-6-7-12-16(4)13-10-14-9-8-11-15(2)3/h14H,5-13H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 62560197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).