4-thiophen-2-ylbutane-1,3-diamine

C8H14N2S — CID 67947462

IUPAC4-thiophen-2-ylbutane-1,3-diamine
SMILESNCCC(N)Cc1cccs1
InChIInChI=1S/C8H14N2S/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7H,3-4,6,9-10H2
InChIKeyJNBXWEHIAONEIL-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.97
Rot. Bonds4

About 4-thiophen-2-ylbutane-1,3-diamine

4-thiophen-2-ylbutane-1,3-diamine (PubChem CID 67947462) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-thiophen-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4-thiophen-2-ylbutane-1,3-diamine
PubChem CID67947462
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-thiophen-2-ylbutane-1,3-diamine
SMILESNCCC(N)Cc1cccs1
InChIInChI=1S/C8H14N2S/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7H,3-4,6,9-10H2
InChIKeyJNBXWEHIAONEIL-UHFFFAOYSA-N
XLogP0.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbutane-1,3-diamine?
The IUPAC name of 4-thiophen-2-ylbutane-1,3-diamine (CID 67947462) is 4-thiophen-2-ylbutane-1,3-diamine.
What is the SMILES notation for 4-thiophen-2-ylbutane-1,3-diamine?
The canonical SMILES for 4-thiophen-2-ylbutane-1,3-diamine is NCCC(N)Cc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbutane-1,3-diamine?
The InChIKey is JNBXWEHIAONEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c9-4-3-7(10)6-8-2-1-5-11-8/h1-2,5,7H,3-4,6,9-10H2.
What are the key properties of 4-thiophen-2-ylbutane-1,3-diamine?
4-thiophen-2-ylbutane-1,3-diamine has a molecular weight of 170.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbutane-1,3-diamine is sourced from PubChem (CID 67947462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).