1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine

C15H24N2S — CID 113475171

IUPAC1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(CN)NC2CC=CC2)s1
InChIInChI=1S/C15H24N2S/c1-15(2,3)14-9-8-13(18-14)12(10-16)17-11-6-4-5-7-11/h4-5,8-9,11-12,17H,6-7,10,16H2,1-3H3
InChIKeyBJFHPRJVMXBSMM-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.35
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine

1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine (PubChem CID 113475171) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine
PubChem CID113475171
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(CN)NC2CC=CC2)s1
InChIInChI=1S/C15H24N2S/c1-15(2,3)14-9-8-13(18-14)12(10-16)17-11-6-4-5-7-11/h4-5,8-9,11-12,17H,6-7,10,16H2,1-3H3
InChIKeyBJFHPRJVMXBSMM-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine (CID 113475171) is 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine is CC(C)(C)c1ccc(C(CN)NC2CC=CC2)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine?
The InChIKey is BJFHPRJVMXBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-15(2,3)14-9-8-13(18-14)12(10-16)17-11-6-4-5-7-11/h4-5,8-9,11-12,17H,6-7,10,16H2,1-3H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine?
1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-N-cyclopent-3-en-1-ylethane-1,2-diamine is sourced from PubChem (CID 113475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).