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

C16H27NS — CID 55194898

IUPACN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCc1ccc(CC2(CNC(C)C)CCCC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)11-16(9-5-6-10-16)12-17-13(2)3/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyCYZNRGFXWIIIGU-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.41
Rot. Bonds6

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

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 55194898) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID55194898
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCc1ccc(CC2(CNC(C)C)CCCC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)11-16(9-5-6-10-16)12-17-13(2)3/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyCYZNRGFXWIIIGU-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine (CID 55194898) is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine is CCc1ccc(CC2(CNC(C)C)CCCC2)s1.
What is the InChIKey of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is CYZNRGFXWIIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)11-16(9-5-6-10-16)12-17-13(2)3/h7-8,13,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.41, 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]propan-2-amine is sourced from PubChem (CID 55194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).