N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine

C14H21N3S — CID 114204286

IUPACN-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C(C)Cc2cccs2)cn1
InChIInChI=1S/C14H21N3S/c1-3-6-15-9-13-10-17(11-16-13)12(2)8-14-5-4-7-18-14/h4-5,7,10-12,15H,3,6,8-9H2,1-2H3
InChIKeyJTKAREWTGZWTPU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.25
Rot. Bonds7

About N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine

N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 114204286) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID114204286
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C(C)Cc2cccs2)cn1
InChIInChI=1S/C14H21N3S/c1-3-6-15-9-13-10-17(11-16-13)12(2)8-14-5-4-7-18-14/h4-5,7,10-12,15H,3,6,8-9H2,1-2H3
InChIKeyJTKAREWTGZWTPU-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490150
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79490143
N-[[1-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204180
N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204333
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368931
5-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961616
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine (CID 114204286) is N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(C(C)Cc2cccs2)cn1.
What is the InChIKey of N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is JTKAREWTGZWTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-6-15-9-13-10-17(11-16-13)12(2)8-14-5-4-7-18-14/h4-5,7,10-12,15H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114204286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).