2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

C16H28N2S — CID 61240692

IUPAC2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC1CCN(CCNC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)16(15-5-4-12-19-15)17-8-11-18-9-6-14(3)7-10-18/h4-5,12-14,16-17H,6-11H2,1-3H3
InChIKeyQTIKQOXRPMURJN-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.77
Rot. Bonds6

About 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61240692) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61240692
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC1CCN(CCNC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)16(15-5-4-12-19-15)17-8-11-18-9-6-14(3)7-10-18/h4-5,12-14,16-17H,6-11H2,1-3H3
InChIKeyQTIKQOXRPMURJN-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990558
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62561259
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
N-(2-cyclopentyloxyethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 55262215
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
CID 64581411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 61240692) is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CC1CCN(CCNC(c2cccs2)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is QTIKQOXRPMURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)16(15-5-4-12-19-15)17-8-11-18-9-6-14(3)7-10-18/h4-5,12-14,16-17H,6-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61240692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).