methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate

C16H31N3O2 — CID 105416924

IUPACmethyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C16H31N3O2/c1-18(2)15(8-6-9-15)12-19(3)13-7-5-10-16(17,11-13)14(20)21-4/h13H,5-12,17H2,1-4H3
InChIKeyLFXTVCZHXXCTEK-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.22
Rot. Bonds5

About methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate

methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate (PubChem CID 105416924) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
PubChem CID105416924
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C16H31N3O2/c1-18(2)15(8-6-9-15)12-19(3)13-7-5-10-16(17,11-13)14(20)21-4/h13H,5-12,17H2,1-4H3
InChIKeyLFXTVCZHXXCTEK-UHFFFAOYSA-N
XLogP1.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577
methyl 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636382
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
CID 79627504
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
[3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(ethylamino)cyclohexyl]methanol
CID 105418636
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
CID 115247275
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-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate (CID 105416924) is methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(N(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate?
The InChIKey is LFXTVCZHXXCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(2)15(8-6-9-15)12-19(3)13-7-5-10-16(17,11-13)14(20)21-4/h13H,5-12,17H2,1-4H3.
What are the key properties of methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate?
methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.22, 5 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-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 105416924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).