butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate

C14H27NO2 — CID 54940545

IUPACbutyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-5-10-17-14(16)11-15(3)13-8-6-12(2)7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyLUZKYVNBHBYIKO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds6

About butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate

butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate (PubChem CID 54940545) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
PubChem CID54940545
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namebutyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-5-10-17-14(16)11-15(3)13-8-6-12(2)7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyLUZKYVNBHBYIKO-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
CID 82739857
butyl 2-[acetyl(cyclohexyl)amino]acetate
CID 57021801
butyl 2-[2-cyanoethyl(cyclopropyl)amino]acetate
CID 55206978
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
butyl 2-(dimethylamino)acetate;methane
CID 157088664
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
CID 62027220
octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692144
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
CID 79396284

Frequently Asked Questions

What is the IUPAC name of butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate?
The IUPAC name of butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate (CID 54940545) is butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate.
What is the SMILES notation for butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate?
The canonical SMILES for butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate is CCCCOC(=O)CN(C)C1CCC(C)CC1.
What is the InChIKey of butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate?
The InChIKey is LUZKYVNBHBYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-10-17-14(16)11-15(3)13-8-6-12(2)7-9-13/h12-13H,4-11H2,1-3H3.
What are the key properties of butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate?
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate is sourced from PubChem (CID 54940545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).