N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine

C12H19NS — CID 130558804

IUPACN-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(Cc2csc(C)c2)C1
InChIInChI=1S/C12H19NS/c1-9-5-11(8-14-9)6-10-3-4-12(7-10)13-2/h5,8,10,12-13H,3-4,6-7H2,1-2H3
InChIKeyZTJHBCMUYPKVTG-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine

N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine (PubChem CID 130558804) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine
PubChem CID130558804
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(Cc2csc(C)c2)C1
InChIInChI=1S/C12H19NS/c1-9-5-11(8-14-9)6-10-3-4-12(7-10)13-2/h5,8,10,12-13H,3-4,6-7H2,1-2H3
InChIKeyZTJHBCMUYPKVTG-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
CID 127006298
3-[(5-methylthiophen-3-yl)methyl]azepane
CID 130558865
N-methyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64505657
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
CID 130558507
4-[(4-bromothiolan-3-yl)methyl]-2-methylthiophene
CID 130558515
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine
CID 131003106
2-[(5-methylthiophen-3-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 130558797

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine (CID 130558804) is N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine is CNC1CCC(Cc2csc(C)c2)C1.
What is the InChIKey of N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is ZTJHBCMUYPKVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-5-11(8-14-9)6-10-3-4-12(7-10)13-2/h5,8,10,12-13H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine?
N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 130558804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).