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

C13H30N2O2 — CID 60632995

IUPAC1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCCN(CC)CCNCC(O)COCC(C)C
InChIInChI=1S/C13H30N2O2/c1-5-15(6-2)8-7-14-9-13(16)11-17-10-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyLFBDIQHMIUZCDZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.95
Rot. Bonds11

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

1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 60632995) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID60632995
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCCN(CC)CCNCC(O)COCC(C)C
InChIInChI=1S/C13H30N2O2/c1-5-15(6-2)8-7-14-9-13(16)11-17-10-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyLFBDIQHMIUZCDZ-UHFFFAOYSA-N
XLogP0.95
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 50.95
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-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
1-[2-(diethylamino)ethylamino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633118
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol (CID 60632995) is 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol is CCN(CC)CCNCC(O)COCC(C)C.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is LFBDIQHMIUZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-15(6-2)8-7-14-9-13(16)11-17-10-12(3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol?
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 0.95, 11 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-methylpropoxy)propan-2-ol is sourced from PubChem (CID 60632995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).