2-(2-dodecyl-1H-imidazol-5-yl)ethanamine

C17H33N3 — CID 10731390

IUPAC2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCCCCCc1ncc(CCN)[nH]1
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-15-16(20-17)13-14-18/h15H,2-14,18H2,1H3,(H,19,20)
InChIKeyTWGYFQRTJORWHC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.37
Rot. Bonds13

About 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine

2-(2-dodecyl-1H-imidazol-5-yl)ethanamine (PubChem CID 10731390) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
PubChem CID10731390
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCCCCCc1ncc(CCN)[nH]1
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-15-16(20-17)13-14-18/h15H,2-14,18H2,1H3,(H,19,20)
InChIKeyTWGYFQRTJORWHC-UHFFFAOYSA-N
XLogP4.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine (CID 10731390) is 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine is CCCCCCCCCCCCc1ncc(CCN)[nH]1.
What is the InChIKey of 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine?
The InChIKey is TWGYFQRTJORWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-15-16(20-17)13-14-18/h15H,2-14,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine?
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.37, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 10731390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).