3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine

C15H23N3S — CID 107444220

IUPAC3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1C(C)Cc1cccs1
InChIInChI=1S/C15H23N3S/c1-11(2)14(8-16)15-9-17-10-18(15)12(3)7-13-5-4-6-19-13/h4-6,9-12,14H,7-8,16H2,1-3H3
InChIKeyAKNYSNSSEXROHW-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.45
Rot. Bonds6

About 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine (PubChem CID 107444220) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
PubChem CID107444220
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1C(C)Cc1cccs1
InChIInChI=1S/C15H23N3S/c1-11(2)14(8-16)15-9-17-10-18(15)12(3)7-13-5-4-6-19-13/h4-6,9-12,14H,7-8,16H2,1-3H3
InChIKeyAKNYSNSSEXROHW-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
CID 114720628
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66130211
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
CID 66139860
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine (CID 107444220) is 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1C(C)Cc1cccs1.
What is the InChIKey of 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The InChIKey is AKNYSNSSEXROHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11(2)14(8-16)15-9-17-10-18(15)12(3)7-13-5-4-6-19-13/h4-6,9-12,14H,7-8,16H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).