2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine

C13H21ClN2S — CID 79428075

IUPAC2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1cc(Cl)cs1)C1CCCC1CN
InChIInChI=1S/C13H21ClN2S/c1-2-16(8-12-6-11(14)9-17-12)13-5-3-4-10(13)7-15/h6,9-10,13H,2-5,7-8,15H2,1H3
InChIKeyYTXUBYVGYWYQHG-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.35
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine

2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine (PubChem CID 79428075) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
PubChem CID79428075
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1cc(Cl)cs1)C1CCCC1CN
InChIInChI=1S/C13H21ClN2S/c1-2-16(8-12-6-11(14)9-17-12)13-5-3-4-10(13)7-15/h6,9-10,13H,2-5,7-8,15H2,1H3
InChIKeyYTXUBYVGYWYQHG-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine (CID 79428075) is 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine is CCN(Cc1cc(Cl)cs1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is YTXUBYVGYWYQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-16(8-12-6-11(14)9-17-12)13-5-3-4-10(13)7-15/h6,9-10,13H,2-5,7-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine?
2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79428075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).