N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine

C15H23N3S — CID 80729319

IUPACN-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCCc1nccn1Cc1cc(CNCC)sc1C
InChIInChI=1S/C15H23N3S/c1-4-6-15-17-7-8-18(15)11-13-9-14(10-16-5-2)19-12(13)3/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeySCXYSQDHGLOMJA-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.36
Rot. Bonds7

About N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 80729319) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID80729319
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCCc1nccn1Cc1cc(CNCC)sc1C
InChIInChI=1S/C15H23N3S/c1-4-6-15-17-7-8-18(15)11-13-9-14(10-16-5-2)19-12(13)3/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeySCXYSQDHGLOMJA-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728744
N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772185
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
4-[(2-ethylimidazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730496
N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222849
1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine (CID 80729319) is N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine is CCCc1nccn1Cc1cc(CNCC)sc1C.
What is the InChIKey of N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is SCXYSQDHGLOMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-6-15-17-7-8-18(15)11-13-9-14(10-16-5-2)19-12(13)3/h7-9,16H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(2-propylimidazol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80729319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).