ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate

C16H32N2O2 — CID 79641781

IUPACethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N(C)C(C)(C)CC)C1
InChIInChI=1S/C16H32N2O2/c1-7-15(3,4)18(6)13-10-9-11-16(12-13,17-5)14(19)20-8-2/h13,17H,7-12H2,1-6H3
InChIKeyWUSSALQWUWYVMU-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds6

About ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate

ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate (PubChem CID 79641781) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
PubChem CID79641781
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N(C)C(C)(C)CC)C1
InChIInChI=1S/C16H32N2O2/c1-7-15(3,4)18(6)13-10-9-11-16(12-13,17-5)14(19)20-8-2/h13,17H,7-12H2,1-6H3
InChIKeyWUSSALQWUWYVMU-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
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
ethyl 1-(methylamino)-3-[methyl(4-methylpentan-2-yl)amino]cyclohexane-1-carboxylate
CID 79627851
ethyl 3-[cyclopropylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641847
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634657
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate (CID 79641781) is ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC)CCCC(N(C)C(C)(C)CC)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is WUSSALQWUWYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-15(3,4)18(6)13-10-9-11-16(12-13,17-5)14(19)20-8-2/h13,17H,7-12H2,1-6H3.
What are the key properties of ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate?
ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).