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

C13H24N2O — CID 107487391

IUPAC4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O/c1-11(2)3-4-13(16)15-10-7-12-5-8-14-9-6-12/h5,11,14H,3-4,6-10H2,1-2H3,(H,15,16)
InChIKeySSZYEHLNZILUDR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds6

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

4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide (PubChem CID 107487391) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
PubChem CID107487391
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O/c1-11(2)3-4-13(16)15-10-7-12-5-8-14-9-6-12/h5,11,14H,3-4,6-10H2,1-2H3,(H,15,16)
InChIKeySSZYEHLNZILUDR-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107487317
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
2-(1-methoxycyclobutyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486968
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262
5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
CID 107487184
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
CID 117125627
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide (CID 107487391) is 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide is CC(C)CCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
The InChIKey is SSZYEHLNZILUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)3-4-13(16)15-10-7-12-5-8-14-9-6-12/h5,11,14H,3-4,6-10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide?
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide is sourced from PubChem (CID 107487391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).