(2S)-1-[tert-butyl(methyl)amino]butan-2-ol

C9H21NO — CID 131224547

IUPAC(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
SMILESCC[C@H](O)CN(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-8(11)7-10(5)9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDXQASGGRYHUPIC-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds3

About (2S)-1-[tert-butyl(methyl)amino]butan-2-ol

(2S)-1-[tert-butyl(methyl)amino]butan-2-ol (PubChem CID 131224547) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
PubChem CID131224547
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
SMILESCC[C@H](O)CN(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-8(11)7-10(5)9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDXQASGGRYHUPIC-QMMMGPOBSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Dibutylaminopropan-2-ol
CID 294557
1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
CID 588959
1-(Dipropylamino)propan-2-ol
CID 99000
2-Butanol, 1,1',1''-nitrilotris-
CID 17024
1-Tert-butylpyrrolidin-3-ol
CID 21702735
2-[Bis(3-methylbutyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 1949110
2-Butanol, 1-(dipropylamino)-
CID 3301252
1-Dibutylamino-2-butanol
CID 3301470
1-(Dimethylamino)-3-methylbutan-2-ol
CID 20823762
2-(Dipropylamino)-2-methylpropan-1-ol
CID 104549078
N-t-butyl-bis-(2-hydroxypropyl)amine
CID 13930825
butane, 1-(N-ethyl-2-hydroxybutyl)amino-2-hydroxy-
CID 14340912

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(methyl)amino]butan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(methyl)amino]butan-2-ol (CID 131224547) is (2S)-1-[tert-butyl(methyl)amino]butan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(methyl)amino]butan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(methyl)amino]butan-2-ol is CC[C@H](O)CN(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(methyl)amino]butan-2-ol?
The InChIKey is DXQASGGRYHUPIC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-8(11)7-10(5)9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(methyl)amino]butan-2-ol?
(2S)-1-[tert-butyl(methyl)amino]butan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 131224547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).