2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone

C14H26N2O3 — CID 65052834

IUPAC2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
SMILESCC1CCCC(CN)(OCC(=O)N2CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-12-3-2-4-14(9-12,11-15)19-10-13(17)16-5-7-18-8-6-16/h12H,2-11,15H2,1H3
InChIKeyYUBSBAGNUWZFHF-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds4

About 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone (PubChem CID 65052834) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
PubChem CID65052834
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
SMILESCC1CCCC(CN)(OCC(=O)N2CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-12-3-2-4-14(9-12,11-15)19-10-13(17)16-5-7-18-8-6-16/h12H,2-11,15H2,1H3
InChIKeyYUBSBAGNUWZFHF-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052366
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
2-[1-(aminomethyl)cyclopentyl]oxy-1-pyrrolidin-1-ylethanone
CID 65051305
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-methylacetamide
CID 65051418
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
CID 65052593
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone (CID 65052834) is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone is CC1CCCC(CN)(OCC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone?
The InChIKey is YUBSBAGNUWZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12-3-2-4-14(9-12,11-15)19-10-13(17)16-5-7-18-8-6-16/h12H,2-11,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone?
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone has a molecular weight of 270.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 65052834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).