(3S)-3-tert-butylmorpholine

C8H17NO — CID 53338726

IUPAC(3S)-3-tert-butylmorpholine
SMILESCC(C)(C)[C@H]1COCCN1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyYGBCOMFKPPSDAN-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds

About (3S)-3-tert-butylmorpholine

(3S)-3-tert-butylmorpholine (PubChem CID 53338726) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-tert-butylmorpholine.

Molecular Properties

Compound Name(3S)-3-tert-butylmorpholine
PubChem CID53338726
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-tert-butylmorpholine
SMILESCC(C)(C)[C@H]1COCCN1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyYGBCOMFKPPSDAN-SSDOTTSWSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butylmorpholine?
The IUPAC name of (3S)-3-tert-butylmorpholine (CID 53338726) is (3S)-3-tert-butylmorpholine.
What is the SMILES notation for (3S)-3-tert-butylmorpholine?
The canonical SMILES for (3S)-3-tert-butylmorpholine is CC(C)(C)[C@H]1COCCN1.
What is the InChIKey of (3S)-3-tert-butylmorpholine?
The InChIKey is YGBCOMFKPPSDAN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3S)-3-tert-butylmorpholine?
(3S)-3-tert-butylmorpholine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butylmorpholine is sourced from PubChem (CID 53338726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).