N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

C15H25NS — CID 107189268

IUPACN-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCC1C
InChIInChI=1S/C15H25NS/c1-4-8-16-15(13-9-12(3)17-10-13)14-7-5-6-11(14)2/h9-11,14-16H,4-8H2,1-3H3
InChIKeyYPOUQIORMYLHAZ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.53
Rot. Bonds5

About N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 107189268) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID107189268
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCC1C
InChIInChI=1S/C15H25NS/c1-4-8-16-15(13-9-12(3)17-10-13)14-7-5-6-11(14)2/h9-11,14-16H,4-8H2,1-3H3
InChIKeyYPOUQIORMYLHAZ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 114241957
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 107189268) is N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is YPOUQIORMYLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-8-16-15(13-9-12(3)17-10-13)14-7-5-6-11(14)2/h9-11,14-16H,4-8H2,1-3H3.
What are the key properties of N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107189268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).