1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine

C24H47N3 — CID 67644457

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC(C)C(N)C1=NCCN1
InChIInChI=1S/C24H47N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(25)24-26-20-21-27-24/h10-11,22-23H,3-9,12-21,25H2,1-2H3,(H,26,27)
InChIKeyUOSUQCAUGNKDTM-UHFFFAOYSA-N
MW377.66 g/mol
LogP6.38
Rot. Bonds18

About 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine (PubChem CID 67644457) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
PubChem CID67644457
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC(C)C(N)C1=NCCN1
InChIInChI=1S/C24H47N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(25)24-26-20-21-27-24/h10-11,22-23H,3-9,12-21,25H2,1-2H3,(H,26,27)
InChIKeyUOSUQCAUGNKDTM-UHFFFAOYSA-N
XLogP6.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine (CID 67644457) is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine is CCCCCCCCC=CCCCCCCCCC(C)C(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine?
The InChIKey is UOSUQCAUGNKDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(25)24-26-20-21-27-24/h10-11,22-23H,3-9,12-21,25H2,1-2H3,(H,26,27).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine has a molecular weight of 377.66 g/mol, XLogP of 6.38, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine is sourced from PubChem (CID 67644457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).