1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol

C17H38N2O2 — CID 60633202

IUPAC1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCCN(CC)CC
InChIInChI=1S/C17H38N2O2/c1-5-9-10-16(6-2)14-21-15-17(20)13-18-11-12-19(7-3)8-4/h16-18,20H,5-15H2,1-4H3
InChIKeyIVPUMDNHTFDAAQ-UHFFFAOYSA-N
MW302.50 g/mol
LogP2.51
Rot. Bonds15

About 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol

1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 60633202) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
PubChem CID60633202
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Name1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCCN(CC)CC
InChIInChI=1S/C17H38N2O2/c1-5-9-10-16(6-2)14-21-15-17(20)13-18-11-12-19(7-3)8-4/h16-18,20H,5-15H2,1-4H3
InChIKeyIVPUMDNHTFDAAQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 88535995
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88535976
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
1-(2-ethylhexoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211866
1-(2-ethylhexoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310378
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-[5-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-[2-[2-[[2-hydroxy-3-[3-[hydroxy(dimethoxy)silyl]propoxy]propyl]amino]ethylamino]ethyl]amino]pentylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 147186478
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol (CID 60633202) is 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CNCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is IVPUMDNHTFDAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2/c1-5-9-10-16(6-2)14-21-15-17(20)13-18-11-12-19(7-3)8-4/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol?
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 302.50 g/mol, XLogP of 2.51, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 60633202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).