methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate

C14H22N2O2 — CID 75509410

IUPACmethyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate
SMILESCOC(=O)C(NCc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-11(15-8-10)9-16-12(13(17)18-5)14(2,3)4/h6-8,12,16H,9H2,1-5H3
InChIKeyIZIVIFMBDCMCGI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds4

About methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate

methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate (PubChem CID 75509410) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate
PubChem CID75509410
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate
SMILESCOC(=O)C(NCc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-11(15-8-10)9-16-12(13(17)18-5)14(2,3)4/h6-8,12,16H,9H2,1-5H3
InChIKeyIZIVIFMBDCMCGI-UHFFFAOYSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoic acid
CID 81311715
2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 115698944
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 115698925
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
CID 81312245

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate?
The IUPAC name of methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate (CID 75509410) is methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate.
What is the SMILES notation for methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate?
The canonical SMILES for methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate is COC(=O)C(NCc1ccc(C)cn1)C(C)(C)C.
What is the InChIKey of methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate?
The InChIKey is IZIVIFMBDCMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-11(15-8-10)9-16-12(13(17)18-5)14(2,3)4/h6-8,12,16H,9H2,1-5H3.
What are the key properties of methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate?
methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate has a molecular weight of 250.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate is sourced from PubChem (CID 75509410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).