methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate

C16H31N3O2 — CID 79627504

IUPACmethyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
SMILESCCN1CCC(N(C)C2CCCC(N)(C(=O)OC)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-19-10-7-13(8-11-19)18(2)14-6-5-9-16(17,12-14)15(20)21-3/h13-14H,4-12,17H2,1-3H3
InChIKeyKXTYPGMCRMVBRM-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.22
Rot. Bonds4

About methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate

methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate (PubChem CID 79627504) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
PubChem CID79627504
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
SMILESCCN1CCC(N(C)C2CCCC(N)(C(=O)OC)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-19-10-7-13(8-11-19)18(2)14-6-5-9-16(17,12-14)15(20)21-3/h13-14H,4-12,17H2,1-3H3
InChIKeyKXTYPGMCRMVBRM-UHFFFAOYSA-N
XLogP1.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
methyl 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636382
methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
CID 105416924
[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol
CID 79635686
methyl 1-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 79641971
1-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64551045
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate (CID 79627504) is methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate is CCN1CCC(N(C)C2CCCC(N)(C(=O)OC)C2)CC1.
What is the InChIKey of methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate?
The InChIKey is KXTYPGMCRMVBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-19-10-7-13(8-11-19)18(2)14-6-5-9-16(17,12-14)15(20)21-3/h13-14H,4-12,17H2,1-3H3.
What are the key properties of methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate?
methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79627504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).