3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C16H28N2S — CID 43193227

IUPAC3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCCCN2CCCCC2C)s1
InChIInChI=1S/C16H28N2S/c1-13-7-4-5-11-18(13)12-6-10-17-15(3)16-9-8-14(2)19-16/h8-9,13,15,17H,4-7,10-12H2,1-3H3
InChIKeyNZAXWRHAJZKZCT-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.97
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 43193227) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID43193227
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCCCN2CCCCC2C)s1
InChIInChI=1S/C16H28N2S/c1-13-7-4-5-11-18(13)12-6-10-17-15(3)16-9-8-14(2)19-16/h8-9,13,15,17H,4-7,10-12H2,1-3H3
InChIKeyNZAXWRHAJZKZCT-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43760694
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
N-[1-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 54898068
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 43193227) is 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is Cc1ccc(C(C)NCCCN2CCCCC2C)s1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is NZAXWRHAJZKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-7-4-5-11-18(13)12-6-10-17-15(3)16-9-8-14(2)19-16/h8-9,13,15,17H,4-7,10-12H2,1-3H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43193227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).