2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium

C17H33N2+ — CID 69391884

IUPAC2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium
SMILESCC(C)CCCCCCCCc1[nH]cc[n+]1C(C)C
InChIInChI=1S/C17H32N2/c1-15(2)11-9-7-5-6-8-10-12-17-18-13-14-19(17)16(3)4/h13-16H,5-12H2,1-4H3/p+1
InChIKeyYUUUEOKBEFIXDN-UHFFFAOYSA-O
MW265.47 g/mol
LogP4.81
Rot. Bonds10

About 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium

2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium (PubChem CID 69391884) has the molecular formula C17H33N2+ and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium
PubChem CID69391884
Molecular FormulaC17H33N2+
Molecular Weight265.47 g/mol
Exact Mass265.26
IUPAC Name2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium
SMILESCC(C)CCCCCCCCc1[nH]cc[n+]1C(C)C
InChIInChI=1S/C17H32N2/c1-15(2)11-9-7-5-6-8-10-12-17-18-13-14-19(17)16(3)4/h13-16H,5-12H2,1-4H3/p+1
InChIKeyYUUUEOKBEFIXDN-UHFFFAOYSA-O
XLogP4.81
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(8-methylnonyl)-3-octadecan-2-yl-1H-imidazol-3-ium
CID 68898976
2-(13-methyltetradecyl)-3-tetradecan-2-yl-1H-imidazol-3-ium
CID 69386786
3-methyl-2-(16-methylheptadecyl)-1H-imidazol-3-ium
CID 67529417
2-(8-methylnonyl)-3-pentadecyl-1H-imidazol-3-ium
CID 69388464
2-(10-methylundecyl)-3-nonadecyl-1H-imidazol-3-ium
CID 69390559
2-(16-methylheptadecyl)-3-phenyl-1H-imidazol-3-ium
CID 69395104
2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate
CID 175851643
1-[2-[(Z)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethanol
CID 141421691
3-propan-2-yl-2-[(14S)-triacontan-14-yl]-1H-imidazol-3-ium
CID 90832823
2-[(10S)-octacosan-10-yl]-3-propan-2-yl-1H-imidazol-3-ium
CID 91469417
2-[(6S)-nonadecan-6-yl]-3-propan-2-yl-1H-imidazol-3-ium
CID 90857825
2-[(7S)-octadecan-7-yl]-3-propan-2-yl-1H-imidazol-3-ium
CID 90853207

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium?
The IUPAC name of 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium (CID 69391884) is 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium.
What is the SMILES notation for 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium?
The canonical SMILES for 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium is CC(C)CCCCCCCCc1[nH]cc[n+]1C(C)C.
What is the InChIKey of 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium?
The InChIKey is YUUUEOKBEFIXDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H32N2/c1-15(2)11-9-7-5-6-8-10-12-17-18-13-14-19(17)16(3)4/h13-16H,5-12H2,1-4H3/p+1.
What are the key properties of 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium?
2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium has a molecular weight of 265.47 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium is sourced from PubChem (CID 69391884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).