3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine

C15H25NS — CID 80706060

IUPAC3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25NS/c1-14(2)8-7-12(10-14)16-11-15(3,4)13-6-5-9-17-13/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyNVKXJZFWLICXCZ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds4

About 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine

3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine (PubChem CID 80706060) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
PubChem CID80706060
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25NS/c1-14(2)8-7-12(10-14)16-11-15(3,4)13-6-5-9-17-13/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyNVKXJZFWLICXCZ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine (CID 80706060) is 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine is CC1(C)CCC(NCC(C)(C)c2cccs2)C1.
What is the InChIKey of 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The InChIKey is NVKXJZFWLICXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-14(2)8-7-12(10-14)16-11-15(3,4)13-6-5-9-17-13/h5-6,9,12,16H,7-8,10-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 80706060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).