1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol

C19H43N3O — CID 71373335

IUPAC1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
SMILESCCCCCCCCCCCCNCCNC(C)CNC(C)O
InChIInChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(2)17-22-19(3)23/h18-23H,4-17H2,1-3H3
InChIKeyAEIKSBRUDBIITJ-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.40
Rot. Bonds18

About 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol

1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol (PubChem CID 71373335) has the molecular formula C19H43N3O and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol.

Molecular Properties

Compound Name1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
PubChem CID71373335
Molecular FormulaC19H43N3O
Molecular Weight329.57 g/mol
Exact Mass329.34
IUPAC Name1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
SMILESCCCCCCCCCCCCNCCNC(C)CNC(C)O
InChIInChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(2)17-22-19(3)23/h18-23H,4-17H2,1-3H3
InChIKeyAEIKSBRUDBIITJ-UHFFFAOYSA-N
XLogP3.40
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
1-[2-(dodecylamino)ethylamino]propan-1-ol
CID 88834870
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
CID 139697693
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
1-N-[1-[1-(docosylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18794953
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
CID 102117969
1-N-[1-[1-(hexadecylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18792189
2-N-(3-aminopropyl)-1-N-octadecylpropane-1,2-diamine
CID 88840012
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol?
The IUPAC name of 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol (CID 71373335) is 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol.
What is the SMILES notation for 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol?
The canonical SMILES for 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol is CCCCCCCCCCCCNCCNC(C)CNC(C)O.
What is the InChIKey of 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol?
The InChIKey is AEIKSBRUDBIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(2)17-22-19(3)23/h18-23H,4-17H2,1-3H3.
What are the key properties of 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol?
1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol has a molecular weight of 329.57 g/mol, XLogP of 3.40, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol is sourced from PubChem (CID 71373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).