N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine

C17H28N2S — CID 79545102

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1cc(CNC2CCCC2C2CCCCN2)sc1C
InChIInChI=1S/C17H28N2S/c1-12-10-14(20-13(12)2)11-19-17-8-5-6-15(17)16-7-3-4-9-18-16/h10,15-19H,3-9,11H2,1-2H3
InChIKeyHRJRIVCVDDFFRO-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.77
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 79545102) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID79545102
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1cc(CNC2CCCC2C2CCCCN2)sc1C
InChIInChI=1S/C17H28N2S/c1-12-10-14(20-13(12)2)11-19-17-8-5-6-15(17)16-7-3-4-9-18-16/h10,15-19H,3-9,11H2,1-2H3
InChIKeyHRJRIVCVDDFFRO-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 79545102) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine is Cc1cc(CNC2CCCC2C2CCCCN2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is HRJRIVCVDDFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-12-10-14(20-13(12)2)11-19-17-8-5-6-15(17)16-7-3-4-9-18-16/h10,15-19H,3-9,11H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).