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

C11H20N2O — CID 107486618

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeyLNRSIDWZLZPONK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds5

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

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (PubChem CID 107486618) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
PubChem CID107486618
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h4,12H,2-3,5-9H2,1H3,(H,13,14)
InChIKeyLNRSIDWZLZPONK-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (CID 107486618) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is CCCC(=O)NCCC1=CCNCC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The InChIKey is LNRSIDWZLZPONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h4,12H,2-3,5-9H2,1H3,(H,13,14).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 5 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]butanamide is sourced from PubChem (CID 107486618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).