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

C16H32N2O2 — CID 79642096

IUPACmethyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)CCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-5)10-7-8-14(12-16)18(4)11-9-13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyPNJBNJMZYJAFPM-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds7

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

methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate (PubChem CID 79642096) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
PubChem CID79642096
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)CCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-5)10-7-8-14(12-16)18(4)11-9-13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyPNJBNJMZYJAFPM-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylic acid
CID 81074828
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate (CID 79642096) is methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N(C)CCC(C)C)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate?
The InChIKey is PNJBNJMZYJAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-5)10-7-8-14(12-16)18(4)11-9-13(2)3/h13-14,17H,6-12H2,1-5H3.
What are the key properties of methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79642096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).