2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone

C16H30N2O3 — CID 65052366

IUPAC2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
SMILESCCCC1CCC(CN)(OCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-3-14-4-6-16(13-17,7-5-14)21-12-15(19)18-8-10-20-11-9-18/h14H,2-13,17H2,1H3
InChIKeyIZIZCLLVEUWGIR-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone (PubChem CID 65052366) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
PubChem CID65052366
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
SMILESCCCC1CCC(CN)(OCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-3-14-4-6-16(13-17,7-5-14)21-12-15(19)18-8-10-20-11-9-18/h14H,2-13,17H2,1H3
InChIKeyIZIZCLLVEUWGIR-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052834
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052464
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
2-[1-(aminomethyl)cyclopentyl]oxy-1-pyrrolidin-1-ylethanone
CID 65051305
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
1-[2-[1-(aminomethyl)-4-propylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone (CID 65052366) is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone is CCCC1CCC(CN)(OCC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The InChIKey is IZIZCLLVEUWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-3-14-4-6-16(13-17,7-5-14)21-12-15(19)18-8-10-20-11-9-18/h14H,2-13,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone?
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone has a molecular weight of 298.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 65052366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).