N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C15H22N2S — CID 66413550

IUPACN-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCCn1cccc1CNC(CC)c1cccs1
InChIInChI=1S/C15H22N2S/c1-3-9-17-10-5-7-13(17)12-16-14(4-2)15-8-6-11-18-15/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3
InChIKeyRPBSOQLLQQSLQW-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.20
Rot. Bonds7

About N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 66413550) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID66413550
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCCn1cccc1CNC(CC)c1cccs1
InChIInChI=1S/C15H22N2S/c1-3-9-17-10-5-7-13(17)12-16-14(4-2)15-8-6-11-18-15/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3
InChIKeyRPBSOQLLQQSLQW-UHFFFAOYSA-N
XLogP4.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
methyl 3-[(3-propylimidazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 66130943
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81375246

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 66413550) is N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCCn1cccc1CNC(CC)c1cccs1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is RPBSOQLLQQSLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-9-17-10-5-7-13(17)12-16-14(4-2)15-8-6-11-18-15/h5-8,10-11,14,16H,3-4,9,12H2,1-2H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 66413550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).