3-(diethylamino)-2-methylpropan-1-ol

C16H38N2O2 — CID 159908880

IUPAC3-(diethylamino)-2-methylpropan-1-ol
SMILESCCN(CC)CC(C)CO.CCN(CC)CC(C)CO
InChIInChI=1S/2C8H19NO/c2*1-4-9(5-2)6-8(3)7-10/h2*8,10H,4-7H2,1-3H3
InChIKeyNWXQTIKVMIRMPH-UHFFFAOYSA-N
MW290.49 g/mol
LogP1.91
Rot. Bonds10

About 3-(diethylamino)-2-methylpropan-1-ol

3-(diethylamino)-2-methylpropan-1-ol (PubChem CID 159908880) has the molecular formula C16H38N2O2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-(diethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-2-methylpropan-1-ol
PubChem CID159908880
Molecular FormulaC16H38N2O2
Molecular Weight290.49 g/mol
Exact Mass290.29
IUPAC Name3-(diethylamino)-2-methylpropan-1-ol
SMILESCCN(CC)CC(C)CO.CCN(CC)CC(C)CO
InChIInChI=1S/2C8H19NO/c2*1-4-9(5-2)6-8(3)7-10/h2*8,10H,4-7H2,1-3H3
InChIKeyNWXQTIKVMIRMPH-UHFFFAOYSA-N
XLogP1.91
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methylpropane-1,3-diol
CID 87127502
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
2-amino-3-(diethylamino)propan-1-ol
CID 57209208
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
CID 165448947
(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol
CID 79469956
methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 115873294
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
N,N-diethyl-2,3-dimethylbutan-1-amine;ethane
CID 144788920
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
CID 174643223
CID 174643223

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(diethylamino)-2-methylpropan-1-ol (CID 159908880) is 3-(diethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(diethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(diethylamino)-2-methylpropan-1-ol is CCN(CC)CC(C)CO.CCN(CC)CC(C)CO.
What is the InChIKey of 3-(diethylamino)-2-methylpropan-1-ol?
The InChIKey is NWXQTIKVMIRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H19NO/c2*1-4-9(5-2)6-8(3)7-10/h2*8,10H,4-7H2,1-3H3.
What are the key properties of 3-(diethylamino)-2-methylpropan-1-ol?
3-(diethylamino)-2-methylpropan-1-ol has a molecular weight of 290.49 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 159908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).