(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride

C10H25ClN2O2 — CID 6852402

IUPAC(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
SMILESCC[C@H](CO)NCCN[C@H](CC)CO.Cl
InChIInChI=1S/C10H24N2O2.ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;/h9-14H,3-8H2,1-2H3;1H/t9-,10-;/m1./s1
InChIKeyZVRRAFGIXXGENK-DHTOPLTISA-N
MW240.77 g/mol
LogP0.13
Rot. Bonds9

About (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride

(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride (PubChem CID 6852402) has the molecular formula C10H25ClN2O2 and a molecular weight of 240.77 g/mol. Its IUPAC name is (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
PubChem CID6852402
Molecular FormulaC10H25ClN2O2
Molecular Weight240.77 g/mol
Exact Mass240.16
IUPAC Name(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
SMILESCC[C@H](CO)NCCN[C@H](CC)CO.Cl
InChIInChI=1S/C10H24N2O2.ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;/h9-14H,3-8H2,1-2H3;1H/t9-,10-;/m1./s1
InChIKeyZVRRAFGIXXGENK-DHTOPLTISA-N
XLogP0.13
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride (CID 6852402) is (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride is CC[C@H](CO)NCCN[C@H](CC)CO.Cl.
What is the InChIKey of (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride?
The InChIKey is ZVRRAFGIXXGENK-DHTOPLTISA-N. The full InChI is InChI=1S/C10H24N2O2.ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;/h9-14H,3-8H2,1-2H3;1H/t9-,10-;/m1./s1.
What are the key properties of (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride?
(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride has a molecular weight of 240.77 g/mol, XLogP of 0.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 6852402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).