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

C15H30N2O2 — CID 79641955

IUPACmethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)11-17(5)12-8-7-9-15(10-12,16-4)13(18)19-6/h12,16H,7-11H2,1-6H3
InChIKeyCXHJJTRZCPDEJP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds4

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

methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79641955) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79641955
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)11-17(5)12-8-7-9-15(10-12,16-4)13(18)19-6/h12,16H,7-11H2,1-6H3
InChIKeyCXHJJTRZCPDEJP-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79626339
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79641781

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (CID 79641955) is methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(N(C)CC(C)(C)C)C1.
What is the InChIKey of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is CXHJJTRZCPDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)11-17(5)12-8-7-9-15(10-12,16-4)13(18)19-6/h12,16H,7-11H2,1-6H3.
What are the key properties of methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 4 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-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79641955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).