N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine

C13H21NS — CID 107177150

IUPACN-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1CCCC1C
InChIInChI=1S/C13H21NS/c1-9-5-4-6-11(9)13(14-3)12-8-7-10(2)15-12/h7-9,11,13-14H,4-6H2,1-3H3
InChIKeyDCECBDAEBIXKFI-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine

N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 107177150) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
PubChem CID107177150
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1CCCC1C
InChIInChI=1S/C13H21NS/c1-9-5-4-6-11(9)13(14-3)12-8-7-10(2)15-12/h7-9,11,13-14H,4-6H2,1-3H3
InChIKeyDCECBDAEBIXKFI-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107178270
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81095858
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107191585
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105012049
[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105266667

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine (CID 107177150) is N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)C1CCCC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is DCECBDAEBIXKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-5-4-6-11(9)13(14-3)12-8-7-10(2)15-12/h7-9,11,13-14H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine?
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 107177150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).