(3S)-3-(ethylamino)-2-methylbutan-2-ol

C7H17NO — CID 58307514

IUPAC(3S)-3-(ethylamino)-2-methylbutan-2-ol
SMILESCCN[C@@H](C)C(C)(C)O
InChIInChI=1S/C7H17NO/c1-5-8-6(2)7(3,4)9/h6,8-9H,5H2,1-4H3/t6-/m0/s1
InChIKeyKOHVTSJAWMVVSW-LURJTMIESA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds3

About (3S)-3-(ethylamino)-2-methylbutan-2-ol

(3S)-3-(ethylamino)-2-methylbutan-2-ol (PubChem CID 58307514) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3S)-3-(ethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3S)-3-(ethylamino)-2-methylbutan-2-ol
PubChem CID58307514
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3S)-3-(ethylamino)-2-methylbutan-2-ol
SMILESCCN[C@@H](C)C(C)(C)O
InChIInChI=1S/C7H17NO/c1-5-8-6(2)7(3,4)9/h6,8-9H,5H2,1-4H3/t6-/m0/s1
InChIKeyKOHVTSJAWMVVSW-LURJTMIESA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Ethylamino)-2-methylpropan-2-ol
CID 415913
1-Isopropylamino-2-methyl-2-propanol
CID 97503
2,3-Dimethyl-3-(methylamino)butan-2-ol
CID 14042308
2-Methyl-3-(methylamino)butan-2-ol
CID 20691718
1-(Cyclopropylamino)-2-methylpropan-2-ol
CID 39235002
2-Methyl-1-(propylamino)propan-2-ol
CID 39235030
1-[(1,1-Dimethylethyl)amino]-2-methyl-2-propanol
CID 10909698
1,1,1-Trifluoro-2-[(propan-2-ylamino)methyl]butan-2-ol
CID 178702310
1-(3-Aminopropylamino)-2-methylpropan-2-ol
CID 271817
2-Methyl-1-(pentan-3-ylamino)propan-2-ol
CID 277593
1-(Ethylamino)-2-methylpropan-2-ol hydrochloride
CID 20309251
2-Methyl-4-[(1-methylethyl)amino]-2-butanol
CID 15889474

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethylamino)-2-methylbutan-2-ol?
The IUPAC name of (3S)-3-(ethylamino)-2-methylbutan-2-ol (CID 58307514) is (3S)-3-(ethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for (3S)-3-(ethylamino)-2-methylbutan-2-ol?
The canonical SMILES for (3S)-3-(ethylamino)-2-methylbutan-2-ol is CCN[C@@H](C)C(C)(C)O.
What is the InChIKey of (3S)-3-(ethylamino)-2-methylbutan-2-ol?
The InChIKey is KOHVTSJAWMVVSW-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO/c1-5-8-6(2)7(3,4)9/h6,8-9H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (3S)-3-(ethylamino)-2-methylbutan-2-ol?
(3S)-3-(ethylamino)-2-methylbutan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 58307514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).