1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

C14H21N3S — CID 106009505

IUPAC1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(CC)s1
InChIInChI=1S/C14H21N3S/c1-3-7-17-11-16-9-12(17)8-15-10-14-6-5-13(4-2)18-14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyMONIHINGCXPQKU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.21
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (PubChem CID 106009505) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
PubChem CID106009505
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(CC)s1
InChIInChI=1S/C14H21N3S/c1-3-7-17-11-16-9-12(17)8-15-10-14-6-5-13(4-2)18-14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyMONIHINGCXPQKU-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
2-(5-chlorothiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106042132
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 66129392
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 114180159
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (CID 106009505) is 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is CCCn1cncc1CNCc1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The InChIKey is MONIHINGCXPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-7-17-11-16-9-12(17)8-15-10-14-6-5-13(4-2)18-14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106009505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).