(2S)-1-methoxypropan-2-amine

C4H11NO — CID 7021536

IUPAC(2S)-1-methoxypropan-2-amine
SMILESCOC[C@H](C)N
InChIInChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyNXMXETCTWNXSFG-BYPYZUCNSA-N
MW89.14 g/mol
LogP-0.02
Rot. Bonds2

About (2S)-1-methoxypropan-2-amine

(2S)-1-methoxypropan-2-amine (PubChem CID 7021536) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is (2S)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxypropan-2-amine
PubChem CID7021536
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name(2S)-1-methoxypropan-2-amine
SMILESCOC[C@H](C)N
InChIInChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyNXMXETCTWNXSFG-BYPYZUCNSA-N
XLogP-0.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxypropan-2-amine?
The IUPAC name of (2S)-1-methoxypropan-2-amine (CID 7021536) is (2S)-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-1-methoxypropan-2-amine is COC[C@H](C)N.
What is the InChIKey of (2S)-1-methoxypropan-2-amine?
The InChIKey is NXMXETCTWNXSFG-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-methoxypropan-2-amine?
(2S)-1-methoxypropan-2-amine has a molecular weight of 89.14 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxypropan-2-amine is sourced from PubChem (CID 7021536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).