1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine

C10H16INS — CID 14246942

IUPAC1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)s1
InChIInChI=1S/C10H16INS/c1-7(2)12-8(3)6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyUXCJAYXBMCWBPN-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.28
Rot. Bonds4

About 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine

1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 14246942) has the molecular formula C10H16INS and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine
PubChem CID14246942
Molecular FormulaC10H16INS
Molecular Weight309.22 g/mol
Exact Mass309.00
IUPAC Name1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1ccc(I)s1
InChIInChI=1S/C10H16INS/c1-7(2)12-8(3)6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyUXCJAYXBMCWBPN-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine (CID 14246942) is 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)Cc1ccc(I)s1.
What is the InChIKey of 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is UXCJAYXBMCWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INS/c1-7(2)12-8(3)6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine?
1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 309.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-2-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).