methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate

C16H30N2O3 — CID 104774503

IUPACmethyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate
SMILESCCCC1CCC(CN)C(N2CCOCC2C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-3-4-12-5-6-13(10-17)14(9-12)18-7-8-21-11-15(18)16(19)20-2/h12-15H,3-11,17H2,1-2H3
InChIKeyOBHZEVHANNJCRL-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.40
Rot. Bonds5

About methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate

methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate (PubChem CID 104774503) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate
PubChem CID104774503
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate
SMILESCCCC1CCC(CN)C(N2CCOCC2C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-3-4-12-5-6-13(10-17)14(9-12)18-7-8-21-11-15(18)16(19)20-2/h12-15H,3-11,17H2,1-2H3
InChIKeyOBHZEVHANNJCRL-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
CID 83098486
[2-(2,4-dimethylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 62330648
methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
CID 104774968
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
4-[2-(aminomethyl)cyclopentyl]morpholine-3-carboxamide
CID 83101214
methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
CID 115533866
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
CID 62886963
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate (CID 104774503) is methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate is CCCC1CCC(CN)C(N2CCOCC2C(=O)OC)C1.
What is the InChIKey of methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate?
The InChIKey is OBHZEVHANNJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-4-12-5-6-13(10-17)14(9-12)18-7-8-21-11-15(18)16(19)20-2/h12-15H,3-11,17H2,1-2H3.
What are the key properties of methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate?
methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).