methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate

C15H27NO3 — CID 115149309

IUPACmethyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-18-15(17)13-2-4-14(5-3-13)16-9-6-12-7-10-19-11-8-12/h12-14,16H,2-11H2,1H3
InChIKeyFATGFHABJSKJHS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.12
Rot. Bonds5

About methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate

methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate (PubChem CID 115149309) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
PubChem CID115149309
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCCC2CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-18-15(17)13-2-4-14(5-3-13)16-9-6-12-7-10-19-11-8-12/h12-14,16H,2-11H2,1H3
InChIKeyFATGFHABJSKJHS-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149138
tert-butyl 3-[2-(oxan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103699268
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 62386039
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
CID 153338626
1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 113415221
methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149306
methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
CID 114450678

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate (CID 115149309) is methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NCCC2CCOCC2)CC1.
What is the InChIKey of methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate?
The InChIKey is FATGFHABJSKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-18-15(17)13-2-4-14(5-3-13)16-9-6-12-7-10-19-11-8-12/h12-14,16H,2-11H2,1H3.
What are the key properties of methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate?
methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115149309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).