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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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856954
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 79419464
N-[(4-chlorothiophen-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 79419563
N-[(4-chlorothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79419638
N-[(4-chlorothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 79419904
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234125
1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114145657
1-(3-chlorothiophen-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225730
N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine
CID 130686348
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
(2S)-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 59085013
N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 143113279

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).