N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

C15H22N2S — CID 66444031

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCCn1cccc1CNC(C)Cc1ccc(C)s1
InChIInChI=1S/C15H22N2S/c1-4-17-9-5-6-14(17)11-16-12(2)10-15-8-7-13(3)18-15/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyNACFIMVCUARAFT-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.60
Rot. Bonds6

About N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 66444031) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID66444031
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCCn1cccc1CNC(C)Cc1ccc(C)s1
InChIInChI=1S/C15H22N2S/c1-4-17-9-5-6-14(17)11-16-12(2)10-15-8-7-13(3)18-15/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyNACFIMVCUARAFT-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (CID 66444031) is N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is CCn1cccc1CNC(C)Cc1ccc(C)s1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is NACFIMVCUARAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-17-9-5-6-14(17)11-16-12(2)10-15-8-7-13(3)18-15/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 66444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).