N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine

C17H24N2OS — CID 80720966

IUPACN-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCCc2ccncc2)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-3-18-12-17-11-16(14(2)21-17)13-20-10-4-5-15-6-8-19-9-7-15/h6-9,11,18H,3-5,10,12-13H2,1-2H3
InChIKeySBJTZGNWHKCYEN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.71
Rot. Bonds9

About N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 80720966) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID80720966
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCCc2ccncc2)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-3-18-12-17-11-16(14(2)21-17)13-20-10-4-5-15-6-8-19-9-7-15/h6-9,11,18H,3-5,10,12-13H2,1-2H3
InChIKeySBJTZGNWHKCYEN-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80729188
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
N-[[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729863
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 80720966) is N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1cc(COCCCc2ccncc2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is SBJTZGNWHKCYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-18-12-17-11-16(14(2)21-17)13-20-10-4-5-15-6-8-19-9-7-15/h6-9,11,18H,3-5,10,12-13H2,1-2H3.
What are the key properties of N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80720966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).