N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

C14H21N3S — CID 61318152

IUPACN-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1sccc1C
InChIInChI=1S/C14H21N3S/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(3)6-10-18-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyJAPYPGUHNLNFKV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 61318152) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID61318152
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1sccc1C
InChIInChI=1S/C14H21N3S/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(3)6-10-18-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyJAPYPGUHNLNFKV-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 103374471
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148852
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 61318152) is N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is JAPYPGUHNLNFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(3)6-10-18-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61318152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).