methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate

C14H27NO2 — CID 115247378

IUPACmethyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCCC(C)C)CCC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-5-10-15(3)11-14(8-6-9-14)13(16)17-4/h12H,5-11H2,1-4H3
InChIKeyUSWKBNQGWIDZPW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds7

About methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate

methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate (PubChem CID 115247378) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate
PubChem CID115247378
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCCC(C)C)CCC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-5-10-15(3)11-14(8-6-9-14)13(16)17-4/h12H,5-11H2,1-4H3
InChIKeyUSWKBNQGWIDZPW-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-((dimethylamino)methyl)cyclobutane-1-carboxylate
CID 10535185
Methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
CID 85290785
Methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate
CID 134989174
Methyl 1-[(4,4-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylate
CID 116991264
Methyl 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylate
CID 116991383
Methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate
CID 116991635
Methyl 2-[(dimethylamino)methyl]-4-methylpentanoate
CID 117242042
Methyl 3,3-dimethyl-2-dimethylaminocyclobutanecarboxylate
CID 6432399
Methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 139515865
Ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate
CID 142013637
methyl (2R)-2-[[methyl(pentyl)amino]methyl]butanoate
CID 144293879
cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate
CID 178037982

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate (CID 115247378) is methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate is COC(=O)C1(CN(C)CCCC(C)C)CCC1.
What is the InChIKey of methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate?
The InChIKey is USWKBNQGWIDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)7-5-10-15(3)11-14(8-6-9-14)13(16)17-4/h12H,5-11H2,1-4H3.
What are the key properties of methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate?
methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 115247378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).