1-(ethylamino)-2,3,3-trimethylbutan-2-ol

C9H21NO — CID 80559205

IUPAC1-(ethylamino)-2,3,3-trimethylbutan-2-ol
SMILESCCNCC(C)(O)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10-7-9(5,11)8(2,3)4/h10-11H,6-7H2,1-5H3
InChIKeyRORBHDFUQJPOCT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds3

About 1-(ethylamino)-2,3,3-trimethylbutan-2-ol

1-(ethylamino)-2,3,3-trimethylbutan-2-ol (PubChem CID 80559205) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(ethylamino)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2,3,3-trimethylbutan-2-ol
PubChem CID80559205
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(ethylamino)-2,3,3-trimethylbutan-2-ol
SMILESCCNCC(C)(O)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10-7-9(5,11)8(2,3)4/h10-11H,6-7H2,1-5H3
InChIKeyRORBHDFUQJPOCT-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
CID 155370446
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591463
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
CID 89032532
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
4-(ethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80559493

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 1-(ethylamino)-2,3,3-trimethylbutan-2-ol (CID 80559205) is 1-(ethylamino)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 1-(ethylamino)-2,3,3-trimethylbutan-2-ol is CCNCC(C)(O)C(C)(C)C.
What is the InChIKey of 1-(ethylamino)-2,3,3-trimethylbutan-2-ol?
The InChIKey is RORBHDFUQJPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-10-7-9(5,11)8(2,3)4/h10-11H,6-7H2,1-5H3.
What are the key properties of 1-(ethylamino)-2,3,3-trimethylbutan-2-ol?
1-(ethylamino)-2,3,3-trimethylbutan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 80559205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).