1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol

C8H19NO2 — CID 114492806

IUPAC1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)CO
InChIInChI=1S/C8H19NO2/c1-4-8(3,11)6-9-7(2)5-10/h7,9-11H,4-6H2,1-3H3
InChIKeyQHMACBLPTFABMD-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.12
Rot. Bonds5

About 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol

1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol (PubChem CID 114492806) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
PubChem CID114492806
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)CO
InChIInChI=1S/C8H19NO2/c1-4-8(3,11)6-9-7(2)5-10/h7,9-11H,4-6H2,1-3H3
InChIKeyQHMACBLPTFABMD-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylbutan-2-ol
CID 65108055
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
1-(dicyclopropylmethylamino)-2-methylbutan-2-ol
CID 65108113
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
CID 79623523
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
CID 66185324

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol (CID 114492806) is 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The InChIKey is QHMACBLPTFABMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-8(3,11)6-9-7(2)5-10/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).