[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone

C13H24N2O2 — CID 55115029

IUPAC[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(CN)C2)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-15(5-6-17-10)13(16)12-4-2-3-11(7-12)8-14/h10-12H,2-9,14H2,1H3
InChIKeyOULHTLKRGFQYRT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds2

About [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone

[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 55115029) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone
PubChem CID55115029
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(CN)C2)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-15(5-6-17-10)13(16)12-4-2-3-11(7-12)8-14/h10-12H,2-9,14H2,1H3
InChIKeyOULHTLKRGFQYRT-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone (CID 55115029) is [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCCC(CN)C2)CCO1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is OULHTLKRGFQYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-15(5-6-17-10)13(16)12-4-2-3-11(7-12)8-14/h10-12H,2-9,14H2,1H3.
What are the key properties of [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone?
[3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 55115029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).