(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride

C11H27Cl2NO2 — CID 169424210

IUPAC(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride
SMILESCC[C@H](CO)CCCN[C@H](CC)CO.Cl.Cl
InChIInChI=1S/C11H25NO2.2ClH/c1-3-10(8-13)6-5-7-12-11(4-2)9-14;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+;;/m0../s1
InChIKeyRMEBVDADNRJAAL-IREPQIBFSA-N
MW276.25 g/mol
LogP1.99
Rot. Bonds9

About (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride

(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride (PubChem CID 169424210) has the molecular formula C11H27Cl2NO2 and a molecular weight of 276.25 g/mol. Its IUPAC name is (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride
PubChem CID169424210
Molecular FormulaC11H27Cl2NO2
Molecular Weight276.25 g/mol
Exact Mass275.14
IUPAC Name(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride
SMILESCC[C@H](CO)CCCN[C@H](CC)CO.Cl.Cl
InChIInChI=1S/C11H25NO2.2ClH/c1-3-10(8-13)6-5-7-12-11(4-2)9-14;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+;;/m0../s1
InChIKeyRMEBVDADNRJAAL-IREPQIBFSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2-(decylamino)butan-1-ol
CID 60668820
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
CID 126512717
2-(4,4,4-trifluorobutylamino)butan-1-ol
CID 115513538
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
CID 101136942
3-(1-hydroxybutan-2-ylamino)propane-1-sulfinate
CID 90922271
3-[3-(1-hydroxybutan-2-ylamino)propyl]hex-5-en-2-one
CID 142168866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride?
The IUPAC name of (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride (CID 169424210) is (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride.
What is the SMILES notation for (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride?
The canonical SMILES for (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride is CC[C@H](CO)CCCN[C@H](CC)CO.Cl.Cl.
What is the InChIKey of (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride?
The InChIKey is RMEBVDADNRJAAL-IREPQIBFSA-N. The full InChI is InChI=1S/C11H25NO2.2ClH/c1-3-10(8-13)6-5-7-12-11(4-2)9-14;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+;;/m0../s1.
What are the key properties of (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride?
(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride has a molecular weight of 276.25 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride is sourced from PubChem (CID 169424210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).