5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine

C14H27N3 — CID 55047589

IUPAC5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCCCCCCCc1nc(C)n(C(C)C)c1N
InChIInChI=1S/C14H27N3/c1-5-6-7-8-9-10-13-14(15)17(11(2)3)12(4)16-13/h11H,5-10,15H2,1-4H3
InChIKeyANWAOHLHEYHEQO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.87
Rot. Bonds7

About 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine

5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine (PubChem CID 55047589) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine
PubChem CID55047589
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCCCCCCCc1nc(C)n(C(C)C)c1N
InChIInChI=1S/C14H27N3/c1-5-6-7-8-9-10-13-14(15)17(11(2)3)12(4)16-13/h11H,5-10,15H2,1-4H3
InChIKeyANWAOHLHEYHEQO-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.87
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 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine (CID 55047589) is 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine is CCCCCCCc1nc(C)n(C(C)C)c1N.
What is the InChIKey of 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is ANWAOHLHEYHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-6-7-8-9-10-13-14(15)17(11(2)3)12(4)16-13/h11H,5-10,15H2,1-4H3.
What are the key properties of 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine?
5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-methyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55047589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).