methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate

C15H28N2O3 — CID 82743238

IUPACmethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H28N2O3/c1-4-16-15(14(18)19-3)8-5-6-12(10-15)17(2)13-7-9-20-11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyDCLTUEJSTALFEQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds5

About methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate

methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate (PubChem CID 82743238) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
PubChem CID82743238
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)C2CCOC2)C1
InChIInChI=1S/C15H28N2O3/c1-4-16-15(14(18)19-3)8-5-6-12(10-15)17(2)13-7-9-20-11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyDCLTUEJSTALFEQ-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate (CID 82743238) is methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N(C)C2CCOC2)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is DCLTUEJSTALFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-16-15(14(18)19-3)8-5-6-12(10-15)17(2)13-7-9-20-11-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 82743238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).