3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one

C13H24N2O2 — CID 65050625

IUPAC3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one
SMILESCC1CCC(CN)(OC2CCN(C)C2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-10-3-6-13(9-14,7-4-10)17-11-5-8-15(2)12(11)16/h10-11H,3-9,14H2,1-2H3
InChIKeyKHCQFHRIUYJOLF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one

3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one (PubChem CID 65050625) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one
PubChem CID65050625
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one
SMILESCC1CCC(CN)(OC2CCN(C)C2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-10-3-6-13(9-14,7-4-10)17-11-5-8-15(2)12(11)16/h10-11H,3-9,14H2,1-2H3
InChIKeyKHCQFHRIUYJOLF-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one (CID 65050625) is 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one is CC1CCC(CN)(OC2CCN(C)C2=O)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one?
The InChIKey is KHCQFHRIUYJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-3-6-13(9-14,7-4-10)17-11-5-8-15(2)12(11)16/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one?
3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-methylcyclohexyl]oxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 65050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).