1-dodecylimidazol-4-amine

C15H29N3 — CID 10848375

IUPAC1-dodecylimidazol-4-amine
SMILESCCCCCCCCCCCCn1cnc(N)c1
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15(16)17-14-18/h13-14H,2-12,16H2,1H3
InChIKeyDWDZDDNZOKBEKW-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.39
Rot. Bonds11

About 1-dodecylimidazol-4-amine

1-dodecylimidazol-4-amine (PubChem CID 10848375) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-dodecylimidazol-4-amine.

Molecular Properties

Compound Name1-dodecylimidazol-4-amine
PubChem CID10848375
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-dodecylimidazol-4-amine
SMILESCCCCCCCCCCCCn1cnc(N)c1
InChIInChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15(16)17-14-18/h13-14H,2-12,16H2,1H3
InChIKeyDWDZDDNZOKBEKW-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-dodecylimidazol-4-amine?
The IUPAC name of 1-dodecylimidazol-4-amine (CID 10848375) is 1-dodecylimidazol-4-amine.
What is the SMILES notation for 1-dodecylimidazol-4-amine?
The canonical SMILES for 1-dodecylimidazol-4-amine is CCCCCCCCCCCCn1cnc(N)c1.
What is the InChIKey of 1-dodecylimidazol-4-amine?
The InChIKey is DWDZDDNZOKBEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15(16)17-14-18/h13-14H,2-12,16H2,1H3.
What are the key properties of 1-dodecylimidazol-4-amine?
1-dodecylimidazol-4-amine has a molecular weight of 251.42 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylimidazol-4-amine is sourced from PubChem (CID 10848375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).