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

C5H14ClNO — CID 46941497

IUPAC(2S)-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-;/m0./s1
InChIKeyVUBZWLXCCORIPY-JEDNCBNOSA-N
MW139.63 g/mol
LogP0.79
Rot. Bonds3

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

(2S)-1-methoxybutan-2-amine;hydrochloride (PubChem CID 46941497) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (2S)-1-methoxybutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-methoxybutan-2-amine;hydrochloride
PubChem CID46941497
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(2S)-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-;/m0./s1
InChIKeyVUBZWLXCCORIPY-JEDNCBNOSA-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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Related Compounds

Methoxyisopropylamine
CID 123458
2-Propanamine, 1-methoxy-, (2S)-
CID 7021536
(+)-2-Amino-1-methoxypropane
CID 10313069
2-Butanamine, 1-methoxy-
CID 93837
1-Methoxy-3-methylbutan-2-amine
CID 12839819
4-Methoxybutan-2-amine
CID 17856440
(3S)-oxolan-3-amine hydrochloride
CID 18664284
2-Butoxyethylamine
CID 80643
1,3-Dimethoxypropan-2-amine
CID 1514160
2-Propoxyethan-1-amine hydrochloride
CID 18326446
1,3-Dimethoxypropan-2-amine hydrochloride
CID 18427749
(R)-1-methoxybutan-2-amine hydrochloride
CID 21035683

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxybutan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-methoxybutan-2-amine;hydrochloride (CID 46941497) is (2S)-1-methoxybutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-methoxybutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-methoxybutan-2-amine;hydrochloride is CC[C@H](N)COC.Cl.
What is the InChIKey of (2S)-1-methoxybutan-2-amine;hydrochloride?
The InChIKey is VUBZWLXCCORIPY-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-3-5(6)4-7-2;/h5H,3-4,6H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of (2S)-1-methoxybutan-2-amine;hydrochloride?
(2S)-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 (2S)-1-methoxybutan-2-amine;hydrochloride is sourced from PubChem (CID 46941497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).