N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine

C16H25NS — CID 55106645

IUPACN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCc1ccc(CC2(CNC3CC3)CCCC2)s1
InChIInChI=1S/C16H25NS/c1-2-14-7-8-15(18-14)11-16(9-3-4-10-16)12-17-13-5-6-13/h7-8,13,17H,2-6,9-12H2,1H3
InChIKeyXTFLYJUHPNVEIY-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.17
Rot. Bonds6

About N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 55106645) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID55106645
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCc1ccc(CC2(CNC3CC3)CCCC2)s1
InChIInChI=1S/C16H25NS/c1-2-14-7-8-15(18-14)11-16(9-3-4-10-16)12-17-13-5-6-13/h7-8,13,17H,2-6,9-12H2,1H3
InChIKeyXTFLYJUHPNVEIY-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine
CID 65304606
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 63507825

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 55106645) is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine is CCc1ccc(CC2(CNC3CC3)CCCC2)s1.
What is the InChIKey of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is XTFLYJUHPNVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-14-7-8-15(18-14)11-16(9-3-4-10-16)12-17-13-5-6-13/h7-8,13,17H,2-6,9-12H2,1H3.
What are the key properties of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 263.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 55106645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).