(2S)-1-methoxy-3,3-dimethylbutan-2-amine

C7H17NO — CID 12839821

IUPAC(2S)-1-methoxy-3,3-dimethylbutan-2-amine
SMILESCOC[C@@H](N)C(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)6(8)5-9-4/h6H,5,8H2,1-4H3/t6-/m1/s1
InChIKeyLWYWCCLROORRTI-ZCFIWIBFSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds2

About (2S)-1-methoxy-3,3-dimethylbutan-2-amine

(2S)-1-methoxy-3,3-dimethylbutan-2-amine (PubChem CID 12839821) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-1-methoxy-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-3,3-dimethylbutan-2-amine
PubChem CID12839821
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-1-methoxy-3,3-dimethylbutan-2-amine
SMILESCOC[C@@H](N)C(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)6(8)5-9-4/h6H,5,8H2,1-4H3/t6-/m1/s1
InChIKeyLWYWCCLROORRTI-ZCFIWIBFSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-methoxy-3,3-dimethylbutan-2-amine (CID 12839821) is (2S)-1-methoxy-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-methoxy-3,3-dimethylbutan-2-amine is COC[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-1-methoxy-3,3-dimethylbutan-2-amine?
The InChIKey is LWYWCCLROORRTI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)6(8)5-9-4/h6H,5,8H2,1-4H3/t6-/m1/s1.
What are the key properties of (2S)-1-methoxy-3,3-dimethylbutan-2-amine?
(2S)-1-methoxy-3,3-dimethylbutan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 12839821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).