5-heptadecyl-1H-imidazol-2-amine

C20H39N3 — CID 25178085

IUPAC5-heptadecyl-1H-imidazol-2-amine
SMILESCCCCCCCCCCCCCCCCCc1cnc(N)[nH]1
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-22-20(21)23-19/h18H,2-17H2,1H3,(H3,21,22,23)
InChIKeyAXFRZDBOTSMQBM-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.41
Rot. Bonds16

About 5-heptadecyl-1H-imidazol-2-amine

5-heptadecyl-1H-imidazol-2-amine (PubChem CID 25178085) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 5-heptadecyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-heptadecyl-1H-imidazol-2-amine
PubChem CID25178085
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name5-heptadecyl-1H-imidazol-2-amine
SMILESCCCCCCCCCCCCCCCCCc1cnc(N)[nH]1
InChIInChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-22-20(21)23-19/h18H,2-17H2,1H3,(H3,21,22,23)
InChIKeyAXFRZDBOTSMQBM-UHFFFAOYSA-N
XLogP6.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.41
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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Related Compounds

5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
CID 158947561
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine
CID 25180815
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
CID 175074966
acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
3,5-didecyl-1H-pyrazole
CID 139785529

Frequently Asked Questions

What is the IUPAC name of 5-heptadecyl-1H-imidazol-2-amine?
The IUPAC name of 5-heptadecyl-1H-imidazol-2-amine (CID 25178085) is 5-heptadecyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-heptadecyl-1H-imidazol-2-amine?
The canonical SMILES for 5-heptadecyl-1H-imidazol-2-amine is CCCCCCCCCCCCCCCCCc1cnc(N)[nH]1.
What is the InChIKey of 5-heptadecyl-1H-imidazol-2-amine?
The InChIKey is AXFRZDBOTSMQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-22-20(21)23-19/h18H,2-17H2,1H3,(H3,21,22,23).
What are the key properties of 5-heptadecyl-1H-imidazol-2-amine?
5-heptadecyl-1H-imidazol-2-amine has a molecular weight of 321.55 g/mol, XLogP of 6.41, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptadecyl-1H-imidazol-2-amine is sourced from PubChem (CID 25178085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).