2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C16H28N2S — CID 103503524

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)C1CCN(C(C)CNCc2cccs2)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)15-6-8-18(9-7-15)14(3)11-17-12-16-5-4-10-19-16/h4-5,10,13-15,17H,6-9,11-12H2,1-3H3
InChIKeyFRBRVDOBLDUDAF-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 103503524) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID103503524
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)C1CCN(C(C)CNCc2cccs2)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)15-6-8-18(9-7-15)14(3)11-17-12-16-5-4-10-19-16/h4-5,10,13-15,17H,6-9,11-12H2,1-3H3
InChIKeyFRBRVDOBLDUDAF-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83062252
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63776987
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 103503524) is 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(C)C1CCN(C(C)CNCc2cccs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is FRBRVDOBLDUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)15-6-8-18(9-7-15)14(3)11-17-12-16-5-4-10-19-16/h4-5,10,13-15,17H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 103503524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).