(2S)-2-tert-butyl-2-methylmorpholine

C9H19NO — CID 129375602

IUPAC(2S)-2-tert-butyl-2-methylmorpholine
SMILESCC(C)(C)[C@@]1(C)CNCCO1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(4)7-10-5-6-11-9/h10H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyGIGKHNPRTHOMSB-SECBINFHSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds

About (2S)-2-tert-butyl-2-methylmorpholine

(2S)-2-tert-butyl-2-methylmorpholine (PubChem CID 129375602) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2-methylmorpholine
PubChem CID129375602
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-2-tert-butyl-2-methylmorpholine
SMILESCC(C)(C)[C@@]1(C)CNCCO1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(4)7-10-5-6-11-9/h10H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyGIGKHNPRTHOMSB-SECBINFHSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2-methylmorpholine?
The IUPAC name of (2S)-2-tert-butyl-2-methylmorpholine (CID 129375602) is (2S)-2-tert-butyl-2-methylmorpholine.
What is the SMILES notation for (2S)-2-tert-butyl-2-methylmorpholine?
The canonical SMILES for (2S)-2-tert-butyl-2-methylmorpholine is CC(C)(C)[C@@]1(C)CNCCO1.
What is the InChIKey of (2S)-2-tert-butyl-2-methylmorpholine?
The InChIKey is GIGKHNPRTHOMSB-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)9(4)7-10-5-6-11-9/h10H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-2-methylmorpholine?
(2S)-2-tert-butyl-2-methylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2-methylmorpholine is sourced from PubChem (CID 129375602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).