N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine

C12H17NS — CID 177187512

IUPACN-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine
SMILESCC(C)NC/C=C1\CCc2ccsc21
InChIInChI=1S/C12H17NS/c1-9(2)13-7-5-10-3-4-11-6-8-14-12(10)11/h5-6,8-9,13H,3-4,7H2,1-2H3/b10-5+
InChIKeyPCOKIPWVEATVPD-BJMVGYQFSA-N
MW207.34 g/mol
LogP3.08
Rot. Bonds3

About N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine

N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine (PubChem CID 177187512) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine
PubChem CID177187512
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine
SMILESCC(C)NC/C=C1\CCc2ccsc21
InChIInChI=1S/C12H17NS/c1-9(2)13-7-5-10-3-4-11-6-8-14-12(10)11/h5-6,8-9,13H,3-4,7H2,1-2H3/b10-5+
InChIKeyPCOKIPWVEATVPD-BJMVGYQFSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine?
The IUPAC name of N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine (CID 177187512) is N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine.
What is the SMILES notation for N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine?
The canonical SMILES for N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine is CC(C)NC/C=C1\CCc2ccsc21.
What is the InChIKey of N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine?
The InChIKey is PCOKIPWVEATVPD-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(2)13-7-5-10-3-4-11-6-8-14-12(10)11/h5-6,8-9,13H,3-4,7H2,1-2H3/b10-5+.
What are the key properties of N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine?
N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(4,5-dihydrocyclopenta[b]thiophen-6-ylidene)ethyl]propan-2-amine is sourced from PubChem (CID 177187512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).