1-[2-(dodecylamino)ethylamino]propan-1-ol

C17H38N2O — CID 88834870

IUPAC1-[2-(dodecylamino)ethylamino]propan-1-ol
SMILESCCCCCCCCCCCCNCCNC(O)CC
InChIInChI=1S/C17H38N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(20)4-2/h17-20H,3-16H2,1-2H3
InChIKeyGSCXELFTXIBFGH-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.81
Rot. Bonds16

About 1-[2-(dodecylamino)ethylamino]propan-1-ol

1-[2-(dodecylamino)ethylamino]propan-1-ol (PubChem CID 88834870) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[2-(dodecylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name1-[2-(dodecylamino)ethylamino]propan-1-ol
PubChem CID88834870
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name1-[2-(dodecylamino)ethylamino]propan-1-ol
SMILESCCCCCCCCCCCCNCCNC(O)CC
InChIInChI=1S/C17H38N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(20)4-2/h17-20H,3-16H2,1-2H3
InChIKeyGSCXELFTXIBFGH-UHFFFAOYSA-N
XLogP3.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(hexylamino)propan-1-ol
CID 57070645
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
(1S)-1-(butylamino)propan-1-ol
CID 153016894
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'-diheptylhexane-1,6-diamine
CID 3028571
1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
CID 71373335
1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
CID 87634862
3-(pentacosylamino)propane-1,1-diol
CID 87068583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dodecylamino)ethylamino]propan-1-ol?
The IUPAC name of 1-[2-(dodecylamino)ethylamino]propan-1-ol (CID 88834870) is 1-[2-(dodecylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 1-[2-(dodecylamino)ethylamino]propan-1-ol?
The canonical SMILES for 1-[2-(dodecylamino)ethylamino]propan-1-ol is CCCCCCCCCCCCNCCNC(O)CC.
What is the InChIKey of 1-[2-(dodecylamino)ethylamino]propan-1-ol?
The InChIKey is GSCXELFTXIBFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(20)4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-[2-(dodecylamino)ethylamino]propan-1-ol?
1-[2-(dodecylamino)ethylamino]propan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 3.81, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dodecylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 88834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).