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

C14H21N3S — CID 61318763

IUPACN-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccn1CCC
InChIInChI=1S/C14H21N3S/c1-3-7-15-13(12-6-5-11-18-12)14-16-8-10-17(14)9-4-2/h5-6,8,10-11,13,15H,3-4,7,9H2,1-2H3
InChIKeyOFFXVGUNVJLKOU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.44
Rot. Bonds7

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

N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 61318763) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID61318763
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccn1CCC
InChIInChI=1S/C14H21N3S/c1-3-7-15-13(12-6-5-11-18-12)14-16-8-10-17(14)9-4-2/h5-6,8,10-11,13,15H,3-4,7,9H2,1-2H3
InChIKeyOFFXVGUNVJLKOU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 61318763) is N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1nccn1CCC.
What is the InChIKey of N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is OFFXVGUNVJLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-7-15-13(12-6-5-11-18-12)14-16-8-10-17(14)9-4-2/h5-6,8,10-11,13,15H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 61318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).