2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine

C14H21N3S — CID 66147964

IUPAC2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1cccs1
InChIInChI=1S/C14H21N3S/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyGKVOYAXKOKKFLR-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.08
Rot. Bonds5

About 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66147964) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66147964
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1cccs1
InChIInChI=1S/C14H21N3S/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyGKVOYAXKOKKFLR-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150379
2-methyl-N-[[6-(2-thiophen-2-ylethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66465894
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150721
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66147964) is 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cncn1CCc1cccs1.
What is the InChIKey of 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GKVOYAXKOKKFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-14(2,3)16-10-12-9-15-11-17(12)7-6-13-5-4-8-18-13/h4-5,8-9,11,16H,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66147964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).