octyl 2-(aminomethyl)pyridine-4-carboxylate

C15H24N2O2 — CID 114325028

IUPACoctyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESCCCCCCCCOC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-15(18)13-8-9-17-14(11-13)12-16/h8-9,11H,2-7,10,12,16H2,1H3
InChIKeyLTNXOCIPPBANTE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.06
Rot. Bonds9

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

octyl 2-(aminomethyl)pyridine-4-carboxylate (PubChem CID 114325028) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is octyl 2-(aminomethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameoctyl 2-(aminomethyl)pyridine-4-carboxylate
PubChem CID114325028
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameoctyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESCCCCCCCCOC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-15(18)13-8-9-17-14(11-13)12-16/h8-9,11H,2-7,10,12,16H2,1H3
InChIKeyLTNXOCIPPBANTE-UHFFFAOYSA-N
XLogP3.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze octyl 2-(aminomethyl)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684
2-(4-hexoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158415577
hexyl 2-formylpyridine-4-carboxylate
CID 54083120
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
5-(2-butoxyethoxy)pentyl 2-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 159072867
ditetradecyl benzene-1,3-dicarboxylate
CID 102084318
pentyl pyridine-4-carboxylate
CID 531655
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
trihexadecyl benzene-1,3,5-tricarboxylate
CID 130473305
triheptyl benzene-1,3,5-tricarboxylate
CID 139819124

Frequently Asked Questions

What is the IUPAC name of octyl 2-(aminomethyl)pyridine-4-carboxylate?
The IUPAC name of octyl 2-(aminomethyl)pyridine-4-carboxylate (CID 114325028) is octyl 2-(aminomethyl)pyridine-4-carboxylate.
What is the SMILES notation for octyl 2-(aminomethyl)pyridine-4-carboxylate?
The canonical SMILES for octyl 2-(aminomethyl)pyridine-4-carboxylate is CCCCCCCCOC(=O)c1ccnc(CN)c1.
What is the InChIKey of octyl 2-(aminomethyl)pyridine-4-carboxylate?
The InChIKey is LTNXOCIPPBANTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-15(18)13-8-9-17-14(11-13)12-16/h8-9,11H,2-7,10,12,16H2,1H3.
What are the key properties of octyl 2-(aminomethyl)pyridine-4-carboxylate?
octyl 2-(aminomethyl)pyridine-4-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-(aminomethyl)pyridine-4-carboxylate is sourced from PubChem (CID 114325028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).