3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol

C19H42N2O2 — CID 134519108

IUPAC3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCNCCN(CCO)CCCO
InChIInChI=1S/C19H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-19-23)15-12-18-22/h20,22-23H,2-19H2,1H3
InChIKeyPTCJSPFRKLQOKV-UHFFFAOYSA-N
MW330.56 g/mol
LogP3.17
Rot. Bonds19

About 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol

3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 134519108) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID134519108
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Name3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCNCCN(CCO)CCCO
InChIInChI=1S/C19H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-19-23)15-12-18-22/h20,22-23H,2-19H2,1H3
InChIKeyPTCJSPFRKLQOKV-UHFFFAOYSA-N
XLogP3.17
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
CID 150216454
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
8-(undecylamino)octan-1-ol
CID 139305047
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol (CID 134519108) is 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol is CCCCCCCCCCCCNCCN(CCO)CCCO.
What is the InChIKey of 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is PTCJSPFRKLQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-19-23)15-12-18-22/h20,22-23H,2-19H2,1H3.
What are the key properties of 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol?
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 330.56 g/mol, XLogP of 3.17, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 134519108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).