5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine

C12H23N3 — CID 79497066

IUPAC5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCC(C)C
InChIInChI=1S/C12H23N3/c1-5-8-15-11(13)14-9-12(15,4)7-6-10(2)3/h5,10H,1,6-9H2,2-4H3,(H2,13,14)
InChIKeyWJTHXRORIYJMLR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.00
Rot. Bonds5

About 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine

5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497066) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497066
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCC(C)C
InChIInChI=1S/C12H23N3/c1-5-8-15-11(13)14-9-12(15,4)7-6-10(2)3/h5,10H,1,6-9H2,2-4H3,(H2,13,14)
InChIKeyWJTHXRORIYJMLR-UHFFFAOYSA-N
XLogP2.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.00
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-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497066) is 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)CCC(C)C.
What is the InChIKey of 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is WJTHXRORIYJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-8-15-11(13)14-9-12(15,4)7-6-10(2)3/h5,10H,1,6-9H2,2-4H3,(H2,13,14).
What are the key properties of 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine?
5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).