(2R)-1-methoxybutan-2-amine;hydrochloride

C5H14ClNO — CID 21035683

IUPAC(2R)-1-methoxybutan-2-amine;hydrochloride
SMILESCC[C@@H](N)COC.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(6)4-7-2;/h5H,3-4,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyVUBZWLXCCORIPY-NUBCRITNSA-N
MW139.63 g/mol
LogP0.79
Rot. Bonds3

About (2R)-1-methoxybutan-2-amine;hydrochloride

(2R)-1-methoxybutan-2-amine;hydrochloride (PubChem CID 21035683) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (2R)-1-methoxybutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-methoxybutan-2-amine;hydrochloride
PubChem CID21035683
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(2R)-1-methoxybutan-2-amine;hydrochloride
SMILESCC[C@@H](N)COC.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(6)4-7-2;/h5H,3-4,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyVUBZWLXCCORIPY-NUBCRITNSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxybutan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-methoxybutan-2-amine;hydrochloride (CID 21035683) is (2R)-1-methoxybutan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-methoxybutan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-methoxybutan-2-amine;hydrochloride is CC[C@@H](N)COC.Cl.
What is the InChIKey of (2R)-1-methoxybutan-2-amine;hydrochloride?
The InChIKey is VUBZWLXCCORIPY-NUBCRITNSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-3-5(6)4-7-2;/h5H,3-4,6H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-1-methoxybutan-2-amine;hydrochloride?
(2R)-1-methoxybutan-2-amine;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxybutan-2-amine;hydrochloride is sourced from PubChem (CID 21035683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).