1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H22N2O2 — CID 62271764

IUPAC1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CCc1ccncc1)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(11-6-13-4-9-16-10-5-13)12-15(14(18)19)7-2-3-8-15/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyGABNHAHIDSDLHO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds6

About 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 62271764) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID62271764
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CCc1ccncc1)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(11-6-13-4-9-16-10-5-13)12-15(14(18)19)7-2-3-8-15/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyGABNHAHIDSDLHO-UHFFFAOYSA-N
XLogP2.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115243117
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
CID 62257036
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
3-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248543
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 64679118
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 62271764) is 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid is CN(CCc1ccncc1)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GABNHAHIDSDLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(11-6-13-4-9-16-10-5-13)12-15(14(18)19)7-2-3-8-15/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,18,19).
What are the key properties of 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62271764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).