(2S)-2-(ethylamino)-3-methylbutan-1-ol

C7H17NO — CID 15153443

IUPAC(2S)-2-(ethylamino)-3-methylbutan-1-ol
SMILESCCN[C@H](CO)C(C)C
InChIInChI=1S/C7H17NO/c1-4-8-7(5-9)6(2)3/h6-9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyJWEMXEJYVXFEKF-SSDOTTSWSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds4

About (2S)-2-(ethylamino)-3-methylbutan-1-ol

(2S)-2-(ethylamino)-3-methylbutan-1-ol (PubChem CID 15153443) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-3-methylbutan-1-ol
PubChem CID15153443
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-2-(ethylamino)-3-methylbutan-1-ol
SMILESCCN[C@H](CO)C(C)C
InChIInChI=1S/C7H17NO/c1-4-8-7(5-9)6(2)3/h6-9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyJWEMXEJYVXFEKF-SSDOTTSWSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(ethylamino)-3-methylbutan-1-ol (CID 15153443) is (2S)-2-(ethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(ethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(ethylamino)-3-methylbutan-1-ol is CCN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-(ethylamino)-3-methylbutan-1-ol?
The InChIKey is JWEMXEJYVXFEKF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-8-7(5-9)6(2)3/h6-9H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2S)-2-(ethylamino)-3-methylbutan-1-ol?
(2S)-2-(ethylamino)-3-methylbutan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 15153443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).