N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide

C11H20N2O — CID 102105006

IUPACN-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide
SMILESCC(=O)NCCCCC1=NCCCC1
InChIInChI=1S/C11H20N2O/c1-10(14)12-8-4-2-6-11-7-3-5-9-13-11/h2-9H2,1H3,(H,12,14)
InChIKeyZJAGXXVGOXDHTO-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.92
Rot. Bonds5

About N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide

N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide (PubChem CID 102105006) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide
PubChem CID102105006
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide
SMILESCC(=O)NCCCCC1=NCCCC1
InChIInChI=1S/C11H20N2O/c1-10(14)12-8-4-2-6-11-7-3-5-9-13-11/h2-9H2,1H3,(H,12,14)
InChIKeyZJAGXXVGOXDHTO-UHFFFAOYSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-(5-cyclohexylidenepentyl)acetamide
CID 154717790
N-(3-acetamidopropyl)acetamide
CID 5147555
trimethyl-[3-(2,3,4,5-tetrahydropyridin-6-yl)propoxy]silane
CID 11095949
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
methyl 3-(4-acetamidobutyl)-6,7-dihydro-5H-pyrrolizine-2-carboxylate
CID 10062102
N-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]acetamide
CID 164661243
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
CID 2313026
dimethyl 3-(5-acetamidopentyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
CID 10360517
2,2-dimethyl-N'-(2,3,4,5-tetrahydropyridin-6-ylmethyl)propanehydrazide
CID 91137096
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide?
The IUPAC name of N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide (CID 102105006) is N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide?
The canonical SMILES for N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide is CC(=O)NCCCCC1=NCCCC1.
What is the InChIKey of N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide?
The InChIKey is ZJAGXXVGOXDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(14)12-8-4-2-6-11-7-3-5-9-13-11/h2-9H2,1H3,(H,12,14).
What are the key properties of N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide?
N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide has a molecular weight of 196.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide is sourced from PubChem (CID 102105006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).