(2S)-3-methoxy-N-methylbutan-2-amine

C6H15NO — CID 122536218

IUPAC(2S)-3-methoxy-N-methylbutan-2-amine
SMILESCN[C@@H](C)C(C)OC
InChIInChI=1S/C6H15NO/c1-5(7-3)6(2)8-4/h5-7H,1-4H3/t5-,6?/m0/s1
InChIKeyYFQCJCJNUAWYQG-ZBHICJROSA-N
MW117.19 g/mol
LogP0.63
Rot. Bonds3

About (2S)-3-methoxy-N-methylbutan-2-amine

(2S)-3-methoxy-N-methylbutan-2-amine (PubChem CID 122536218) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-3-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methoxy-N-methylbutan-2-amine
PubChem CID122536218
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-3-methoxy-N-methylbutan-2-amine
SMILESCN[C@@H](C)C(C)OC
InChIInChI=1S/C6H15NO/c1-5(7-3)6(2)8-4/h5-7H,1-4H3/t5-,6?/m0/s1
InChIKeyYFQCJCJNUAWYQG-ZBHICJROSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-N-methylbutan-2-amine?
The IUPAC name of (2S)-3-methoxy-N-methylbutan-2-amine (CID 122536218) is (2S)-3-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for (2S)-3-methoxy-N-methylbutan-2-amine?
The canonical SMILES for (2S)-3-methoxy-N-methylbutan-2-amine is CN[C@@H](C)C(C)OC.
What is the InChIKey of (2S)-3-methoxy-N-methylbutan-2-amine?
The InChIKey is YFQCJCJNUAWYQG-ZBHICJROSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7-3)6(2)8-4/h5-7H,1-4H3/t5-,6?/m0/s1.
What are the key properties of (2S)-3-methoxy-N-methylbutan-2-amine?
(2S)-3-methoxy-N-methylbutan-2-amine has a molecular weight of 117.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 122536218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).