ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate

C15H30N2O2 — CID 79636441

IUPACethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCCC(N(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-6-17(5)13-9-8-10-15(11-13,16-12(3)4)14(18)19-7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyMQUUPUMMGUBUAS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds6

About ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate

ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 79636441) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
PubChem CID79636441
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCCC(N(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-6-17(5)13-9-8-10-15(11-13,16-12(3)4)14(18)19-7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyMQUUPUMMGUBUAS-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
ethyl 3-[cyclopropyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636368
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
ethyl 1-(cyclopropylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636428
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
ethyl 1-(methylamino)-3-[methyl(4-methylpentan-2-yl)amino]cyclohexane-1-carboxylate
CID 79627851

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate (CID 79636441) is ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NC(C)C)CCCC(N(C)CC)C1.
What is the InChIKey of ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is MQUUPUMMGUBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-17(5)13-9-8-10-15(11-13,16-12(3)4)14(18)19-7-2/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).