N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

C17H28ClNS — CID 102763934

IUPACN-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H28ClNS/c1-5-19-15(14-10-13(4)16(18)20-14)17(11-12(2)3)8-6-7-9-17/h10,12,15,19H,5-9,11H2,1-4H3
InChIKeyVVXQVTINLYZOQE-UHFFFAOYSA-N
MW313.94 g/mol
LogP5.97
Rot. Bonds6

About N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (PubChem CID 102763934) has the molecular formula C17H28ClNS and a molecular weight of 313.94 g/mol. Its IUPAC name is N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
PubChem CID102763934
Molecular FormulaC17H28ClNS
Molecular Weight313.94 g/mol
Exact Mass313.16
IUPAC NameN-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H28ClNS/c1-5-19-15(14-10-13(4)16(18)20-14)17(11-12(2)3)8-6-7-9-17/h10,12,15,19H,5-9,11H2,1-4H3
InChIKeyVVXQVTINLYZOQE-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.94
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
CID 102764676
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 102828514
[(5-chlorothiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105328233
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 102828748
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102763898
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011
2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
CID 102764691
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (CID 102763934) is N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is CCNC(c1cc(C)c(Cl)s1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The InChIKey is VVXQVTINLYZOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNS/c1-5-19-15(14-10-13(4)16(18)20-14)17(11-12(2)3)8-6-7-9-17/h10,12,15,19H,5-9,11H2,1-4H3.
What are the key properties of N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine has a molecular weight of 313.94 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 102763934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).