4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine

C12H21N3 — CID 106554780

IUPAC4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)(C)CC
InChIInChI=1S/C12H21N3/c1-6-8-15-9-10(3)13-11(15)14-12(4,5)7-2/h6,9H,1,7-8H2,2-5H3,(H,13,14)
InChIKeyNZLAGBMUCPBIFG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine

4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106554780) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
PubChem CID106554780
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)(C)CC
InChIInChI=1S/C12H21N3/c1-6-8-15-9-10(3)13-11(15)14-12(4,5)7-2/h6,9H,1,7-8H2,2-5H3,(H,13,14)
InChIKeyNZLAGBMUCPBIFG-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
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 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine (CID 106554780) is 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NC(C)(C)CC.
What is the InChIKey of 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is NZLAGBMUCPBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-8-15-9-10(3)13-11(15)14-12(4,5)7-2/h6,9H,1,7-8H2,2-5H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine?
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106554780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).