2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine

C13H19N3S — CID 62223778

IUPAC2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1cccs1
InChIInChI=1S/C13H19N3S/c1-13(2,3)15-9-12-14-6-7-16(12)10-11-5-4-8-17-11/h4-8,15H,9-10H2,1-3H3
InChIKeyNGQNTKCDQPFKLX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62223778) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID62223778
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1cccs1
InChIInChI=1S/C13H19N3S/c1-13(2,3)15-9-12-14-6-7-16(12)10-11-5-4-8-17-11/h4-8,15H,9-10H2,1-3H3
InChIKeyNGQNTKCDQPFKLX-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561408
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222891
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine (CID 62223778) is 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nccn1Cc1cccs1.
What is the InChIKey of 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is NGQNTKCDQPFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-13(2,3)15-9-12-14-6-7-16(12)10-11-5-4-8-17-11/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).