methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate

C13H25NO2 — CID 61446295

IUPACmethyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-11-6-4-7-12(10-11)14(2)9-5-8-13(15)16-3/h11-12H,4-10H2,1-3H3
InChIKeyIEXHKXDNZMBPGA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds5

About methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate

methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate (PubChem CID 61446295) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate
PubChem CID61446295
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-11-6-4-7-12(10-11)14(2)9-5-8-13(15)16-3/h11-12H,4-10H2,1-3H3
InChIKeyIEXHKXDNZMBPGA-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
methyl 4-[(4-aminocyclohexyl)-methylamino]butanoate;dihydrochloride
CID 70135287
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
CID 63382843
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 106805952
N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
CID 62429155
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate (CID 61446295) is methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate is COC(=O)CCCN(C)C1CCCC(C)C1.
What is the InChIKey of methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate?
The InChIKey is IEXHKXDNZMBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-6-4-7-12(10-11)14(2)9-5-8-13(15)16-3/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate?
methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate is sourced from PubChem (CID 61446295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).