2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine

C18H23NS — CID 79859844

IUPAC2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H23NS/c1-18(2)12-6-11-16(18)19-17(15-10-7-13-20-15)14-8-4-3-5-9-14/h3-5,7-10,13,16-17,19H,6,11-12H2,1-2H3
InChIKeySZRQXHXHDCIWNY-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.01
Rot. Bonds4

About 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 79859844) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID79859844
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H23NS/c1-18(2)12-6-11-16(18)19-17(15-10-7-13-20-15)14-8-4-3-5-9-14/h3-5,7-10,13,16-17,19H,6,11-12H2,1-2H3
InChIKeySZRQXHXHDCIWNY-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine (CID 79859844) is 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine is CC1(C)CCCC1NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is SZRQXHXHDCIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-18(2)12-6-11-16(18)19-17(15-10-7-13-20-15)14-8-4-3-5-9-14/h3-5,7-10,13,16-17,19H,6,11-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.01, 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-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79859844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).