methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

C16H32N2O2 — CID 79642233

IUPACmethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-7-17-16(14(19)20-6)10-8-9-13(11-16)18(5)12-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyZNCDMJVOVAKWGV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds5

About methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 79642233) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID79642233
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-7-17-16(14(19)20-6)10-8-9-13(11-16)18(5)12-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyZNCDMJVOVAKWGV-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
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
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
CID 79641468
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (CID 79642233) is methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1.
What is the InChIKey of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is ZNCDMJVOVAKWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-17-16(14(19)20-6)10-8-9-13(11-16)18(5)12-15(2,3)4/h13,17H,7-12H2,1-6H3.
What are the key properties of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79642233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).