1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene

C17H32N2 — CID 178160236

IUPAC1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene
SMILESC=CC.CCC(C)CCCC(C)c1cn(C)c(C)n1
InChIInChI=1S/C14H26N2.C3H6/c1-6-11(2)8-7-9-12(3)14-10-16(5)13(4)15-14;1-3-2/h10-12H,6-9H2,1-5H3;3H,1H2,2H3
InChIKeyTZKZHPNNRAQBLT-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.24
Rot. Bonds6

About 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene

1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene (PubChem CID 178160236) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene.

Molecular Properties

Compound Name1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene
PubChem CID178160236
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene
SMILESC=CC.CCC(C)CCCC(C)c1cn(C)c(C)n1
InChIInChI=1S/C14H26N2.C3H6/c1-6-11(2)8-7-9-12(3)14-10-16(5)13(4)15-14;1-3-2/h10-12H,6-9H2,1-5H3;3H,1H2,2H3
InChIKeyTZKZHPNNRAQBLT-UHFFFAOYSA-N
XLogP5.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
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 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene?
The IUPAC name of 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene (CID 178160236) is 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene.
What is the SMILES notation for 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene?
The canonical SMILES for 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene is C=CC.CCC(C)CCCC(C)c1cn(C)c(C)n1.
What is the InChIKey of 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene?
The InChIKey is TZKZHPNNRAQBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C3H6/c1-6-11(2)8-7-9-12(3)14-10-16(5)13(4)15-14;1-3-2/h10-12H,6-9H2,1-5H3;3H,1H2,2H3.
What are the key properties of 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene?
1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene has a molecular weight of 264.46 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene is sourced from PubChem (CID 178160236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).