2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine

C14H23NS — CID 115889479

IUPAC2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
SMILESCCC(Cc1cccs1)NC1CCCC1C
InChIInChI=1S/C14H23NS/c1-3-12(10-13-7-5-9-16-13)15-14-8-4-6-11(14)2/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3
InChIKeyFHDSTXVRRUQRSC-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds5

About 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine

2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine (PubChem CID 115889479) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
PubChem CID115889479
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
SMILESCCC(Cc1cccs1)NC1CCCC1C
InChIInChI=1S/C14H23NS/c1-3-12(10-13-7-5-9-16-13)15-14-8-4-6-11(14)2/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3
InChIKeyFHDSTXVRRUQRSC-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine (CID 115889479) is 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine is CCC(Cc1cccs1)NC1CCCC1C.
What is the InChIKey of 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine?
The InChIKey is FHDSTXVRRUQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-12(10-13-7-5-9-16-13)15-14-8-4-6-11(14)2/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3.
What are the key properties of 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine?
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 115889479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).