(2S)-1-(2-methylpropylamino)butan-2-ol

C8H19NO — CID 130500218

IUPAC(2S)-1-(2-methylpropylamino)butan-2-ol
SMILESCC[C@H](O)CNCC(C)C
InChIInChI=1S/C8H19NO/c1-4-8(10)6-9-5-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyQNKCMZKLIVAQLO-QMMMGPOBSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds5

About (2S)-1-(2-methylpropylamino)butan-2-ol

(2S)-1-(2-methylpropylamino)butan-2-ol (PubChem CID 130500218) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-1-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylpropylamino)butan-2-ol
PubChem CID130500218
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-1-(2-methylpropylamino)butan-2-ol
SMILESCC[C@H](O)CNCC(C)C
InChIInChI=1S/C8H19NO/c1-4-8(10)6-9-5-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyQNKCMZKLIVAQLO-QMMMGPOBSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175939227
CID 175939227
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
butan-2-ol;1-(2-hydroxypropylamino)-4-methylpentan-2-ol
CID 158990832
1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
CID 115476733
1-(prop-2-ynylamino)butan-2-ol
CID 60885196
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(2-methoxyethylamino)butan-2-ol
CID 60885611

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylpropylamino)butan-2-ol?
The IUPAC name of (2S)-1-(2-methylpropylamino)butan-2-ol (CID 130500218) is (2S)-1-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for (2S)-1-(2-methylpropylamino)butan-2-ol is CC[C@H](O)CNCC(C)C.
What is the InChIKey of (2S)-1-(2-methylpropylamino)butan-2-ol?
The InChIKey is QNKCMZKLIVAQLO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(10)6-9-5-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-methylpropylamino)butan-2-ol?
(2S)-1-(2-methylpropylamino)butan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 130500218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).