tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate

C19H30N2O2 — CID 66706945

IUPACtert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCC2CCCCC2)nc1CN
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)16-12-11-15(21-17(16)13-20)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10,13,20H2,1-3H3
InChIKeyITLPXVGREOZTDW-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate

tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate (PubChem CID 66706945) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate
PubChem CID66706945
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCC2CCCCC2)nc1CN
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)16-12-11-15(21-17(16)13-20)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10,13,20H2,1-3H3
InChIKeyITLPXVGREOZTDW-UHFFFAOYSA-N
XLogP4.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
5-(Aminomethyl)-2-Methyl-4-(4-Methylphenyl)-6-(2-Methylpropyl)pyridine-3-Carboxic Acid
CID 11220682
5-(Azaniumylmethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylate
CID 72200281
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
4-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonyl]oxybutanoic acid;dihydrochloride
CID 69446132
Diethyl 4-(3-aminophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2229373
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Methyl 6-phenylnicotinate
CID 13129505
Ethyl 4-(2-aminoanilino)-2,6-dimethylnicotinate
CID 766509
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
Diethyl 2,4-diethyl-6-phenylpyridine-3,5-dicarboxylate
CID 44413083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate (CID 66706945) is tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate is CC(C)(C)OC(=O)c1ccc(CCC2CCCCC2)nc1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate?
The InChIKey is ITLPXVGREOZTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)16-12-11-15(21-17(16)13-20)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10,13,20H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate?
tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-6-(2-cyclohexylethyl)pyridine-3-carboxylate is sourced from PubChem (CID 66706945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).