methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate

C13H26N2O2 — CID 105415482

IUPACmethyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H26N2O2/c1-11(12(16)17-5)9-15(4)10-13(14(2)3)7-6-8-13/h11H,6-10H2,1-5H3
InChIKeyNONJIDLMVJOUJW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds6

About methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate

methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate (PubChem CID 105415482) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
PubChem CID105415482
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H26N2O2/c1-11(12(16)17-5)9-15(4)10-13(14(2)3)7-6-8-13/h11H,6-10H2,1-5H3
InChIKeyNONJIDLMVJOUJW-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
CID 105418423
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 105415424
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate (CID 105415482) is methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate?
The InChIKey is NONJIDLMVJOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12(16)17-5)9-15(4)10-13(14(2)3)7-6-8-13/h11H,6-10H2,1-5H3.
What are the key properties of methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate?
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 105415482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).