1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine

C14H27NO — CID 122502417

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
SMILESCC(C)(C)OC1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H27NO/c1-14(2,3)16-13-8-6-12(7-9-13)15-10-4-5-11-15/h12-13H,4-11H2,1-3H3
InChIKeyDMXVAEWHBAUNOS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.21
Rot. Bonds2

About 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine

1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine (PubChem CID 122502417) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
PubChem CID122502417
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
SMILESCC(C)(C)OC1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H27NO/c1-14(2,3)16-13-8-6-12(7-9-13)15-10-4-5-11-15/h12-13H,4-11H2,1-3H3
InChIKeyDMXVAEWHBAUNOS-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine (CID 122502417) is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine is CC(C)(C)OC1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine?
The InChIKey is DMXVAEWHBAUNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,3)16-13-8-6-12(7-9-13)15-10-4-5-11-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine?
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine is sourced from PubChem (CID 122502417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).