(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C10H23NO — CID 28998269

IUPAC(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)OC[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(11)7-12-10(4,5)6/h8H,7,11H2,1-6H3/t8-/m1/s1
InChIKeyAUAOQASBDWOKDL-MRVPVSSYSA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds2

About (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 28998269) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID28998269
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)OC[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(11)7-12-10(4,5)6/h8H,7,11H2,1-6H3/t8-/m1/s1
InChIKeyAUAOQASBDWOKDL-MRVPVSSYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 28998269) is (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)(C)OC[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is AUAOQASBDWOKDL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)8(11)7-12-10(4,5)6/h8H,7,11H2,1-6H3/t8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 28998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).