2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid

C14H20N2O2 — CID 79261219

IUPAC2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(CNCC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O2/c1-10-4-2-6-12(16-10)9-15-8-11-5-3-7-13(11)14(17)18/h2,4,6,11,13,15H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyFBOWANPFIPITMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds5

About 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 79261219) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID79261219
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(CNCC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O2/c1-10-4-2-6-12(16-10)9-15-8-11-5-3-7-13(11)14(17)18/h2,4,6,11,13,15H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyFBOWANPFIPITMV-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 79267879
4-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclohexan-1-ol
CID 106133296
1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267415
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
CID 115529683
2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
2-[[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 66188771
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid (CID 79261219) is 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid is Cc1cccc(CNCC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FBOWANPFIPITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-2-6-12(16-10)9-15-8-11-5-3-7-13(11)14(17)18/h2,4,6,11,13,15H,3,5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79261219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).