1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol

C12H27NO2 — CID 114448993

IUPAC1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCN(CC(C)(C)O)CC(C)(O)C(C)C
InChIInChI=1S/C12H27NO2/c1-7-13(8-11(4,5)14)9-12(6,15)10(2)3/h10,14-15H,7-9H2,1-6H3
InChIKeyOAWOUUITJHLYBZ-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.49
Rot. Bonds6

About 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol

1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 114448993) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID114448993
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCN(CC(C)(C)O)CC(C)(O)C(C)C
InChIInChI=1S/C12H27NO2/c1-7-13(8-11(4,5)14)9-12(6,15)10(2)3/h10,14-15H,7-9H2,1-6H3
InChIKeyOAWOUUITJHLYBZ-UHFFFAOYSA-N
XLogP1.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494839
3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
CID 114448919
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 79377499
1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
CID 79389360
1-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-2-methylpropan-2-ol
CID 79389739
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol (CID 114448993) is 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol is CCN(CC(C)(C)O)CC(C)(O)C(C)C.
What is the InChIKey of 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is OAWOUUITJHLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-7-13(8-11(4,5)14)9-12(6,15)10(2)3/h10,14-15H,7-9H2,1-6H3.
What are the key properties of 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol?
1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114448993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).