2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine

C16H23N3 — CID 55088185

IUPAC2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-16(2,3)18-11-13-19-12-10-17-15(19)14-8-6-5-7-9-14/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyJUHGKPYJRYVHMM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds6

About 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine

2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine (PubChem CID 55088185) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
PubChem CID55088185
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-16(2,3)18-11-13-19-12-10-17-15(19)14-8-6-5-7-9-14/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyJUHGKPYJRYVHMM-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine (CID 55088185) is 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine is CCC(C)(C)NCCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine?
The InChIKey is JUHGKPYJRYVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(2,3)18-11-13-19-12-10-17-15(19)14-8-6-5-7-9-14/h5-10,12,18H,4,11,13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine?
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 55088185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).