N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine

C14H19N3 — CID 106581094

IUPACN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
SMILESCC(C)(CCc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGULDUDDOXGKKDK-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.23
Rot. Bonds5

About N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine

N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine (PubChem CID 106581094) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
PubChem CID106581094
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
SMILESCC(C)(CCc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGULDUDDOXGKKDK-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1H-imidazol-2-amine
CID 12847936
N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
CID 106571848
N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine
CID 106581092
N-(2-methyl-4-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 113472531
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
2-(2-phenylethyl)-1H-imidazole;hydrochloride
CID 67183879
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
2-methyl-4-[(2-methyl-4-phenylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957217
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine (CID 106581094) is N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine is CC(C)(CCc1ccccc1)Nc1ncc[nH]1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The InChIKey is GULDUDDOXGKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106581094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).