4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine

C14H25N3 — CID 71117026

IUPAC4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine
SMILESCN1C=C(C2=CCNCC2)N(CC(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-14(2,3)10-17-11-16(4)9-13(17)12-5-7-15-8-6-12/h5,9,15H,6-8,10-11H2,1-4H3
InChIKeyGPDGATMRDHQTNT-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.00
Rot. Bonds2

About 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine

4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 71117026) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine
PubChem CID71117026
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine
SMILESCN1C=C(C2=CCNCC2)N(CC(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-14(2,3)10-17-11-16(4)9-13(17)12-5-7-15-8-6-12/h5,9,15H,6-8,10-11H2,1-4H3
InChIKeyGPDGATMRDHQTNT-UHFFFAOYSA-N
XLogP2.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine (CID 71117026) is 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine is CN1C=C(C2=CCNCC2)N(CC(C)(C)C)C1.
What is the InChIKey of 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is GPDGATMRDHQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)10-17-11-16(4)9-13(17)12-5-7-15-8-6-12/h5,9,15H,6-8,10-11H2,1-4H3.
What are the key properties of 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine?
4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 235.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 71117026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).