N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H23NS — CID 64909543

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)C2C)s1
InChIInChI=1S/C14H23NS/c1-4-12-6-7-13(16-12)9-15-14-8-5-10(2)11(14)3/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3
InChIKeyJIQLVYLYFJGGDU-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.83
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64909543) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64909543
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)C2C)s1
InChIInChI=1S/C14H23NS/c1-4-12-6-7-13(16-12)9-15-14-8-5-10(2)11(14)3/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3
InChIKeyJIQLVYLYFJGGDU-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64909543) is N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine is CCc1ccc(CNC2CCC(C)C2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is JIQLVYLYFJGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-12-6-7-13(16-12)9-15-14-8-5-10(2)11(14)3/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).