1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine

C10H16INS — CID 107893890

IUPAC1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1csc(I)c1
InChIInChI=1S/C10H16INS/c1-3-4-7(2)10(12)8-5-9(11)13-6-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyBHDYANRNTSKTBD-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.79
Rot. Bonds4

About 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine

1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine (PubChem CID 107893890) has the molecular formula C10H16INS and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine
PubChem CID107893890
Molecular FormulaC10H16INS
Molecular Weight309.22 g/mol
Exact Mass309.00
IUPAC Name1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1csc(I)c1
InChIInChI=1S/C10H16INS/c1-3-4-7(2)10(12)8-5-9(11)13-6-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyBHDYANRNTSKTBD-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 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 ≤ 53.79
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-3-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine (CID 107893890) is 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine is CCCC(C)C(N)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine?
The InChIKey is BHDYANRNTSKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INS/c1-3-4-7(2)10(12)8-5-9(11)13-6-8/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine?
1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine has a molecular weight of 309.22 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 107893890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).