5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine

C14H25N3 — CID 62964799

IUPAC5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(CC(C)(C)C)c1N
InChIInChI=1S/C14H25N3/c1-6-8-12-16-11(10-14(3,4)5)13(15)17(12)9-7-2/h7H,2,6,8-10,15H2,1,3-5H3
InChIKeyXQIXEGWECAINGD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.19
Rot. Bonds5

About 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 62964799) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID62964799
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(CC(C)(C)C)c1N
InChIInChI=1S/C14H25N3/c1-6-8-12-16-11(10-14(3,4)5)13(15)17(12)9-7-2/h7H,2,6,8-10,15H2,1,3-5H3
InChIKeyXQIXEGWECAINGD-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 62964799) is 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(CC(C)(C)C)c1N.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is XQIXEGWECAINGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-8-12-16-11(10-14(3,4)5)13(15)17(12)9-7-2/h7H,2,6,8-10,15H2,1,3-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62964799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).