1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

C16H28N2S — CID 114544722

IUPAC1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2ccc(C(C)(C)C)s2)C1
InChIInChI=1S/C16H28N2S/c1-11-5-6-12(9-11)18-13(10-17)14-7-8-15(19-14)16(2,3)4/h7-8,11-13,18H,5-6,9-10,17H2,1-4H3
InChIKeyKFGIGLYRCMYNTO-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.82
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544722) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
PubChem CID114544722
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2ccc(C(C)(C)C)s2)C1
InChIInChI=1S/C16H28N2S/c1-11-5-6-12(9-11)18-13(10-17)14-7-8-15(19-14)16(2,3)4/h7-8,11-13,18H,5-6,9-10,17H2,1-4H3
InChIKeyKFGIGLYRCMYNTO-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (CID 114544722) is 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine is CC1CCC(NC(CN)c2ccc(C(C)(C)C)s2)C1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The InChIKey is KFGIGLYRCMYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-5-6-12(9-11)18-13(10-17)14-7-8-15(19-14)16(2,3)4/h7-8,11-13,18H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.82, 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-(3-methylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).