4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine

C13H19N3 — CID 91582959

IUPAC4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC#CCN1CC(C)N=C1C1=CCNCC1
InChIInChI=1S/C13H19N3/c1-3-4-9-16-10-11(2)15-13(16)12-5-7-14-8-6-12/h5,11,14H,6-10H2,1-2H3
InChIKeyPVVBWMOSBNZGQD-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.03
Rot. Bonds2

About 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine

4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 91582959) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID91582959
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC#CCN1CC(C)N=C1C1=CCNCC1
InChIInChI=1S/C13H19N3/c1-3-4-9-16-10-11(2)15-13(16)12-5-7-14-8-6-12/h5,11,14H,6-10H2,1-2H3
InChIKeyPVVBWMOSBNZGQD-UHFFFAOYSA-N
XLogP1.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine with MolForge

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Related Compounds

6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole
CID 134298742
ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
CID 143987472
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine;molecular hydrogen
CID 144066620
N',6-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075917
6-Prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 70621009
N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
CID 143987473
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 144066621

Frequently Asked Questions

What is the IUPAC name of 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine (CID 91582959) is 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine is CC#CCN1CC(C)N=C1C1=CCNCC1.
What is the InChIKey of 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PVVBWMOSBNZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-4-9-16-10-11(2)15-13(16)12-5-7-14-8-6-12/h5,11,14H,6-10H2,1-2H3.
What are the key properties of 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 217.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-but-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 91582959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).