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

C9H21NO2 — CID 79250143

IUPAC(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
SMILESCCOCCN[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-12-6-5-10-9(7-11)8(2)3/h8-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyCPIUSLOKUQZTNG-SECBINFHSA-N
MW175.27 g/mol
LogP0.63
Rot. Bonds7

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

(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol (PubChem CID 79250143) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
PubChem CID79250143
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
SMILESCCOCCN[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-12-6-5-10-9(7-11)8(2)3/h8-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyCPIUSLOKUQZTNG-SECBINFHSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
3-(2-ethoxyethylamino)-2-methylbutan-2-ol
CID 65337537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol (CID 79250143) is (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol is CCOCCN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol?
The InChIKey is CPIUSLOKUQZTNG-SECBINFHSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-12-6-5-10-9(7-11)8(2)3/h8-11H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol?
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79250143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).