N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C12H19NS — CID 112716425

IUPACN,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCNC1c2cc(C(C)C)sc2CC1C
InChIInChI=1S/C12H19NS/c1-7(2)10-6-9-11(14-10)5-8(3)12(9)13-4/h6-8,12-13H,5H2,1-4H3
InChIKeyNQYWBRWWJZRNSO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.32
Rot. Bonds2

About N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 112716425) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID112716425
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCNC1c2cc(C(C)C)sc2CC1C
InChIInChI=1S/C12H19NS/c1-7(2)10-6-9-11(14-10)5-8(3)12(9)13-4/h6-8,12-13H,5H2,1-4H3
InChIKeyNQYWBRWWJZRNSO-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 112716425) is N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CNC1c2cc(C(C)C)sc2CC1C.
What is the InChIKey of N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is NQYWBRWWJZRNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-7(2)10-6-9-11(14-10)5-8(3)12(9)13-4/h6-8,12-13H,5H2,1-4H3.
What are the key properties of N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 209.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 112716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).