ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate

C17H34N2O2 — CID 79626619

IUPACethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC(N(CC)CC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-18-17(16(20)21-8-3)11-9-10-15(12-17)19(7-2)13-14(4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyHGIPBGGFTVDECY-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

About ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate

ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate (PubChem CID 79626619) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
PubChem CID79626619
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC(N(CC)CC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-18-17(16(20)21-8-3)11-9-10-15(12-17)19(7-2)13-14(4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyHGIPBGGFTVDECY-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79649720
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
ethyl 3-[cyclopropylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641847
ethyl 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carboxylate
CID 79638188
ethyl 3-butan-2-ylsulfanyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 79637738
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636441
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate (CID 79626619) is ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate is CCNC1(C(=O)OCC)CCCC(N(CC)CC(C)C)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The InChIKey is HGIPBGGFTVDECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-18-17(16(20)21-8-3)11-9-10-15(12-17)19(7-2)13-14(4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79626619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).