1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine

C25H51N3 — CID 67644181

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCC(CC)C(N)C1=NCCN1
InChIInChI=1S/C25H51N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h23-24H,3-22,26H2,1-2H3,(H,27,28)
InChIKeyQJVUEQDQESRAEF-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.99
Rot. Bonds20

About 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine (PubChem CID 67644181) has the molecular formula C25H51N3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
PubChem CID67644181
Molecular FormulaC25H51N3
Molecular Weight393.70 g/mol
Exact Mass393.41
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCC(CC)C(N)C1=NCCN1
InChIInChI=1S/C25H51N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h23-24H,3-22,26H2,1-2H3,(H,27,28)
InChIKeyQJVUEQDQESRAEF-UHFFFAOYSA-N
XLogP6.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
CID 174291982
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
CID 67821023
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
15-(aminomethyl)-17-(4,5-dihydro-1H-imidazol-2-yl)nonacosan-14-one
CID 67804414
9,10-diethyloctadecane
CID 530164
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
5-ethyltetradecan-6-amine
CID 115835159
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine (CID 67644181) is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine is CCCCCCCCCCCCCCCCCCC(CC)C(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine?
The InChIKey is QJVUEQDQESRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h23-24H,3-22,26H2,1-2H3,(H,27,28).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine has a molecular weight of 393.70 g/mol, XLogP of 6.99, 20 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-ethylicosan-1-amine is sourced from PubChem (CID 67644181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).