3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol

C24H60N4O4 — CID 174850571

IUPAC3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)C(C)C.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C7H17NO.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3
InChIKeyKBFXCZDVEHWXAT-UHFFFAOYSA-N
MW468.77 g/mol
LogP1.28
Rot. Bonds14

About 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol

3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol (PubChem CID 174850571) has the molecular formula C24H60N4O4 and a molecular weight of 468.77 g/mol. Its IUPAC name is 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
PubChem CID174850571
Molecular FormulaC24H60N4O4
Molecular Weight468.77 g/mol
Exact Mass468.46
IUPAC Name3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)C(C)C.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C7H17NO.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3
InChIKeyKBFXCZDVEHWXAT-UHFFFAOYSA-N
XLogP1.28
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.77
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol?
The IUPAC name of 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol (CID 174850571) is 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol.
What is the SMILES notation for 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol?
The canonical SMILES for 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol is CC(C)N(CCO)C(C)C.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO.
What is the InChIKey of 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol?
The InChIKey is KBFXCZDVEHWXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C7H17NO.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3.
What are the key properties of 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol?
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol has a molecular weight of 468.77 g/mol, XLogP of 1.28, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol is sourced from PubChem (CID 174850571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).