3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole

C14H22N2 — CID 66756928

IUPAC3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole
SMILESCC(C)(C)CCC#C[C@H]1C[C@H]1N1C=CNC1
InChIInChI=1S/C14H22N2/c1-14(2,3)7-5-4-6-12-10-13(12)16-9-8-15-11-16/h8-9,12-13,15H,5,7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyJIDULRGZSTUJTR-QWHCGFSZSA-N
MW218.34 g/mol
LogP2.54
Rot. Bonds2

About 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole

3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole (PubChem CID 66756928) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole
PubChem CID66756928
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole
SMILESCC(C)(C)CCC#C[C@H]1C[C@H]1N1C=CNC1
InChIInChI=1S/C14H22N2/c1-14(2,3)7-5-4-6-12-10-13(12)16-9-8-15-11-16/h8-9,12-13,15H,5,7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyJIDULRGZSTUJTR-QWHCGFSZSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,5-Dimethylhexan-3-yl)-1,2-dihydroimidazole
CID 132034958
3-(4-Methylpentan-2-yl)-1,2-dihydroimidazole
CID 137395376

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole?
The IUPAC name of 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole (CID 66756928) is 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole.
What is the SMILES notation for 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole?
The canonical SMILES for 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole is CC(C)(C)CCC#C[C@H]1C[C@H]1N1C=CNC1.
What is the InChIKey of 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole?
The InChIKey is JIDULRGZSTUJTR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)7-5-4-6-12-10-13(12)16-9-8-15-11-16/h8-9,12-13,15H,5,7,10-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole?
3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole has a molecular weight of 218.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1,2-dihydroimidazole is sourced from PubChem (CID 66756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).