N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide

C12H22N2O — CID 107486739

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-12(15)14-10-7-11-5-8-13-9-6-11/h5,13H,2-4,6-10H2,1H3,(H,14,15)
InChIKeyFJCYKVCYEMBBTK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide (PubChem CID 107486739) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
PubChem CID107486739
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-12(15)14-10-7-11-5-8-13-9-6-11/h5,13H,2-4,6-10H2,1H3,(H,14,15)
InChIKeyFJCYKVCYEMBBTK-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide (CID 107486739) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide is CCCCC(=O)NCCC1=CCNCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The InChIKey is FJCYKVCYEMBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-12(15)14-10-7-11-5-8-13-9-6-11/h5,13H,2-4,6-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide is sourced from PubChem (CID 107486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).