N-(thiophen-3-ylmethyl)propan-1-amine

C8H13NS — CID 4723846

IUPACN-(thiophen-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ccsc1
InChIInChI=1S/C8H13NS/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyMZIXPNLTNGCJTB-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.25
Rot. Bonds4

About N-(thiophen-3-ylmethyl)propan-1-amine

N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 4723846) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID4723846
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-(thiophen-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ccsc1
InChIInChI=1S/C8H13NS/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyMZIXPNLTNGCJTB-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)propan-1-amine (CID 4723846) is N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)propan-1-amine is CCCNCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is MZIXPNLTNGCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of N-(thiophen-3-ylmethyl)propan-1-amine?
N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 155.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 4723846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).