N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H33N3 — CID 63725666

IUPACN'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCCCCCNCCN(C)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-5-6-7-8-10-15-11-14-17(4)13-9-12-16(2)3/h15H,5-14H2,1-4H3
InChIKeyZWMNAYQAYDEYKC-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.04
Rot. Bonds12

About N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63725666) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63725666
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCCCCCNCCN(C)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-5-6-7-8-10-15-11-14-17(4)13-9-12-16(2)3/h15H,5-14H2,1-4H3
InChIKeyZWMNAYQAYDEYKC-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.04
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',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457

Frequently Asked Questions

What is the IUPAC name of N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63725666) is N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CCCCCCNCCN(C)CCCN(C)C.
What is the InChIKey of N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ZWMNAYQAYDEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-5-6-7-8-10-15-11-14-17(4)13-9-12-16(2)3/h15H,5-14H2,1-4H3.
What are the key properties of N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63725666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).