5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine

C10H16INS — CID 107320001

IUPAC5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
SMILESICCCCCNCc1ccsc1
InChIInChI=1S/C10H16INS/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,5-6,8H2
InChIKeyWGWCXJILMPJXLR-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.44
Rot. Bonds7

About 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine

5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine (PubChem CID 107320001) has the molecular formula C10H16INS and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
PubChem CID107320001
Molecular FormulaC10H16INS
Molecular Weight309.22 g/mol
Exact Mass309.00
IUPAC Name5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
SMILESICCCCCNCc1ccsc1
InChIInChI=1S/C10H16INS/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,5-6,8H2
InChIKeyWGWCXJILMPJXLR-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
CID 107319983
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
CID 77031240
6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115598283
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine?
The IUPAC name of 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine (CID 107320001) is 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine is ICCCCCNCc1ccsc1.
What is the InChIKey of 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine?
The InChIKey is WGWCXJILMPJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INS/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,5-6,8H2.
What are the key properties of 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine?
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine has a molecular weight of 309.22 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107320001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).