N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C16H26N2S — CID 79988934

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(c1sccc1C)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N2S/c1-13-7-12-19-14(13)15(17-2)16(8-3-4-9-16)18-10-5-6-11-18/h7,12,15,17H,3-6,8-11H2,1-2H3
InChIKeyWZAPAFDWMGMUPL-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79988934) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79988934
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(c1sccc1C)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N2S/c1-13-7-12-19-14(13)15(17-2)16(8-3-4-9-16)18-10-5-6-11-18/h7,12,15,17H,3-6,8-11H2,1-2H3
InChIKeyWZAPAFDWMGMUPL-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-bromothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105243027
[(2-methylthiophen-3-yl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 102842888
(3-methylthiophen-2-yl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79989145
1-(furan-3-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79060580
N-methyl-1-(1-morpholin-4-ylcyclopentyl)-1-thiophen-2-ylmethanamine
CID 79066848
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 103131090
N-[(1-pyrrolidin-1-ylcyclopentyl)-thiophen-2-ylmethyl]ethanamine
CID 79058723
(3-chlorothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methanamine
CID 107359921
[(2-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242928
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398
[(4-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242945
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79988934) is N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is CNC(c1sccc1C)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is WZAPAFDWMGMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13-7-12-19-14(13)15(17-2)16(8-3-4-9-16)18-10-5-6-11-18/h7,12,15,17H,3-6,8-11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 278.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).