N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine

C14H24N2S — CID 113405391

IUPACN'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H24N2S/c1-14(2,3)16-8-7-15-10-12-9-11-5-4-6-13(11)17-12/h9,15-16H,4-8,10H2,1-3H3
InChIKeyUCSKBDSPWICPFN-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.71
Rot. Bonds5

About N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine

N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 113405391) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID113405391
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H24N2S/c1-14(2,3)16-8-7-15-10-12-9-11-5-4-6-13(11)17-12/h9,15-16H,4-8,10H2,1-3H3
InChIKeyUCSKBDSPWICPFN-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
CID 54955987
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 83074898
5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine
CID 107874546
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
CID 62936269
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
CID 112755344
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 54956112

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine (CID 113405391) is N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine is CC(C)(C)NCCNCc1cc2c(s1)CCC2.
What is the InChIKey of N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UCSKBDSPWICPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)16-8-7-15-10-12-9-11-5-4-6-13(11)17-12/h9,15-16H,4-8,10H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 113405391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).