2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine

C15H25NS — CID 79856875

IUPAC2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
SMILESCc1ccc(CC(C)NC2CCCC2(C)C)s1
InChIInChI=1S/C15H25NS/c1-11(10-13-8-7-12(2)17-13)16-14-6-5-9-15(14,3)4/h7-8,11,14,16H,5-6,9-10H2,1-4H3
InChIKeyYCRQQKBIOFFADV-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.16
Rot. Bonds4

About 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine

2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine (PubChem CID 79856875) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
PubChem CID79856875
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
SMILESCc1ccc(CC(C)NC2CCCC2(C)C)s1
InChIInChI=1S/C15H25NS/c1-11(10-13-8-7-12(2)17-13)16-14-6-5-9-15(14,3)4/h7-8,11,14,16H,5-6,9-10H2,1-4H3
InChIKeyYCRQQKBIOFFADV-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine (CID 79856875) is 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine is Cc1ccc(CC(C)NC2CCCC2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is YCRQQKBIOFFADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11(10-13-8-7-12(2)17-13)16-14-6-5-9-15(14,3)4/h7-8,11,14,16H,5-6,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine?
2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 79856875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).