cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate

C14H20N2O2 — CID 113277656

IUPACcyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESNCc1cc(C(=O)OCC2CCCCC2)ccn1
InChIInChI=1S/C14H20N2O2/c15-9-13-8-12(6-7-16-13)14(17)18-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,15H2
InChIKeyWHLDMCBCBKKJNT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds4

About cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate

cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate (PubChem CID 113277656) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
PubChem CID113277656
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namecyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESNCc1cc(C(=O)OCC2CCCCC2)ccn1
InChIInChI=1S/C14H20N2O2/c15-9-13-8-12(6-7-16-13)14(17)18-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,15H2
InChIKeyWHLDMCBCBKKJNT-UHFFFAOYSA-N
XLogP2.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptylmethyl 2-bromopyridine-4-carboxylate
CID 114249026
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
CID 116601749
(3-methylcyclohexyl)methyl 2-fluoropyridine-4-carboxylate
CID 113347537
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
[4-(cyclohexylmethoxymethyl)-2-pyridinyl]methanamine
CID 63882665
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
cyclohexylmethyl 4-(2-aminoethyl)benzoate
CID 55068002
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate?
The IUPAC name of cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate (CID 113277656) is cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate.
What is the SMILES notation for cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate?
The canonical SMILES for cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate is NCc1cc(C(=O)OCC2CCCCC2)ccn1.
What is the InChIKey of cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate?
The InChIKey is WHLDMCBCBKKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-9-13-8-12(6-7-16-13)14(17)18-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,15H2.
What are the key properties of cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate?
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate is sourced from PubChem (CID 113277656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).