N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine

C17H25N3 — CID 106581092

IUPACN-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-13-20-14-12-18-16(20)19-17(2,3)11-10-15-8-6-5-7-9-15/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,18,19)
InChIKeyZPZUCUMIPPXJGV-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.12
Rot. Bonds7

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

N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine (PubChem CID 106581092) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine
PubChem CID106581092
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-13-20-14-12-18-16(20)19-17(2,3)11-10-15-8-6-5-7-9-15/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,18,19)
InChIKeyZPZUCUMIPPXJGV-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-phenylpropyl)imidazol-2-amine
CID 106563175
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
CID 106581094
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758
N-hexyl-1-propylimidazol-2-amine
CID 106573792
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine (CID 106581092) is N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine is CCCn1ccnc1NC(C)(C)CCc1ccccc1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine?
The InChIKey is ZPZUCUMIPPXJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13-20-14-12-18-16(20)19-17(2,3)11-10-15-8-6-5-7-9-15/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine?
N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106581092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).