N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine

C15H21N3 — CID 106580867

IUPACN-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
SMILESCC(Nc1nccn1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H21N3/c1-12(15(2,3)4)17-14-16-10-11-18(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17)
InChIKeyXCIAWRIGJGLMKY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine

N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine (PubChem CID 106580867) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
PubChem CID106580867
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
SMILESCC(Nc1nccn1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H21N3/c1-12(15(2,3)4)17-14-16-10-11-18(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17)
InChIKeyXCIAWRIGJGLMKY-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine (CID 106580867) is N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine is CC(Nc1nccn1-c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine?
The InChIKey is XCIAWRIGJGLMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(15(2,3)4)17-14-16-10-11-18(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine?
N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106580867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).