(2S)-2-methoxy-3-methylbutan-1-amine

C6H15NO — CID 26188668

IUPAC(2S)-2-methoxy-3-methylbutan-1-amine
SMILESCO[C@H](CN)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(4-7)8-3/h5-6H,4,7H2,1-3H3/t6-/m1/s1
InChIKeyORBDGFSVVFALPZ-ZCFIWIBFSA-N
MW117.19 g/mol
LogP0.62
Rot. Bonds3

About (2S)-2-methoxy-3-methylbutan-1-amine

(2S)-2-methoxy-3-methylbutan-1-amine (PubChem CID 26188668) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name(2S)-2-methoxy-3-methylbutan-1-amine
PubChem CID26188668
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-2-methoxy-3-methylbutan-1-amine
SMILESCO[C@H](CN)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(4-7)8-3/h5-6H,4,7H2,1-3H3/t6-/m1/s1
InChIKeyORBDGFSVVFALPZ-ZCFIWIBFSA-N
XLogP0.62
TPSA35.25 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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-3-methylbutan-1-amine
CID 45074955
2-Cyclopropyl-2-methoxyethan-1-amine
CID 66072378
(2-Methoxybutyl)amine hydrochloride
CID 17178036
2-Methoxypropan-1-amine
CID 12609719
2-Methoxy-3,3-dimethylbutan-1-amine
CID 56828419
2-Methoxy-4-methylpentan-1-amine
CID 66071962
2-Methoxy-3-methylbutan-1-amine hydrochloride
CID 137944416
2-Methoxybutan-1-amine
CID 17178037
3-Methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62445217
2-(2,2-Difluoroethoxy)-3-methylbutan-1-amine
CID 82005889
2-Fluoro-2-methoxy-3-methylbutan-1-amine
CID 83855185
2-(Difluoromethoxy)-3-methylbutan-1-amine
CID 84716513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of (2S)-2-methoxy-3-methylbutan-1-amine (CID 26188668) is (2S)-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for (2S)-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for (2S)-2-methoxy-3-methylbutan-1-amine is CO[C@H](CN)C(C)C.
What is the InChIKey of (2S)-2-methoxy-3-methylbutan-1-amine?
The InChIKey is ORBDGFSVVFALPZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(2)6(4-7)8-3/h5-6H,4,7H2,1-3H3/t6-/m1/s1.
What are the key properties of (2S)-2-methoxy-3-methylbutan-1-amine?
(2S)-2-methoxy-3-methylbutan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 26188668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).