1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol

C17H39N3O — CID 155255098

IUPAC1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
SMILESCCCCCCCCCCCCNCC(O)CNCCN
InChIInChI=1S/C17H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19-15-17(21)16-20-14-12-18/h17,19-21H,2-16,18H2,1H3
InChIKeySTHDJZHBGWXRJX-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.41
Rot. Bonds17

About 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol

1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol (PubChem CID 155255098) has the molecular formula C17H39N3O and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
PubChem CID155255098
Molecular FormulaC17H39N3O
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC Name1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
SMILESCCCCCCCCCCCCNCC(O)CNCCN
InChIInChI=1S/C17H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19-15-17(21)16-20-14-12-18/h17,19-21H,2-16,18H2,1H3
InChIKeySTHDJZHBGWXRJX-UHFFFAOYSA-N
XLogP2.41
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
1-(octadecylamino)butan-2-ol
CID 174541083
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
2-(pentacosylamino)ethane-1,1-diol
CID 87068456

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol (CID 155255098) is 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol is CCCCCCCCCCCCNCC(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol?
The InChIKey is STHDJZHBGWXRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19-15-17(21)16-20-14-12-18/h17,19-21H,2-16,18H2,1H3.
What are the key properties of 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol?
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol has a molecular weight of 301.52 g/mol, XLogP of 2.41, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol is sourced from PubChem (CID 155255098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).