4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride

C21H41ClN2O — CID 54606301

IUPAC4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl
InChIInChI=1S/C21H40N2O.ClH/c1-20(2,3)19-5-7-21(8-6-19)9-13-22(14-10-21)11-4-12-23-15-17-24-18-16-23;/h19H,4-18H2,1-3H3;1H
InChIKeyIBNZTMMORJMASS-UHFFFAOYSA-N
MW373.03 g/mol
LogP4.45
Rot. Bonds4

About 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride

4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride (PubChem CID 54606301) has the molecular formula C21H41ClN2O and a molecular weight of 373.03 g/mol. Its IUPAC name is 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
PubChem CID54606301
Molecular FormulaC21H41ClN2O
Molecular Weight373.03 g/mol
Exact Mass372.29
IUPAC Name4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl
InChIInChI=1S/C21H40N2O.ClH/c1-20(2,3)19-5-7-21(8-6-19)9-13-22(14-10-21)11-4-12-23-15-17-24-18-16-23;/h19H,4-18H2,1-3H3;1H
InChIKeyIBNZTMMORJMASS-UHFFFAOYSA-N
XLogP4.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.03
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride (CID 54606301) is 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride is CC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2.Cl.
What is the InChIKey of 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
The InChIKey is IBNZTMMORJMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O.ClH/c1-20(2,3)19-5-7-21(8-6-19)9-13-22(14-10-21)11-4-12-23-15-17-24-18-16-23;/h19H,4-18H2,1-3H3;1H.
What are the key properties of 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride?
4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride has a molecular weight of 373.03 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 54606301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).