2-tert-butylmorpholine;hydrochloride

C8H18ClNO — CID 86812526

IUPAC2-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)C1CNCCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)7-6-9-4-5-10-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyRVHDHNGDUSIFHK-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.44
Rot. Bonds

About 2-tert-butylmorpholine;hydrochloride

2-tert-butylmorpholine;hydrochloride (PubChem CID 86812526) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-tert-butylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-tert-butylmorpholine;hydrochloride
PubChem CID86812526
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)C1CNCCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)7-6-9-4-5-10-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyRVHDHNGDUSIFHK-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylmorpholine;hydrochloride?
The IUPAC name of 2-tert-butylmorpholine;hydrochloride (CID 86812526) is 2-tert-butylmorpholine;hydrochloride.
What is the SMILES notation for 2-tert-butylmorpholine;hydrochloride?
The canonical SMILES for 2-tert-butylmorpholine;hydrochloride is CC(C)(C)C1CNCCO1.Cl.
What is the InChIKey of 2-tert-butylmorpholine;hydrochloride?
The InChIKey is RVHDHNGDUSIFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2,3)7-6-9-4-5-10-7;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 2-tert-butylmorpholine;hydrochloride?
2-tert-butylmorpholine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylmorpholine;hydrochloride is sourced from PubChem (CID 86812526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).