4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine

C12H24N4S — CID 91468234

IUPAC4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
SMILESNCCC(N)Cc1ccc(CC(N)CCN)s1
InChIInChI=1S/C12H24N4S/c13-5-3-9(15)7-11-1-2-12(17-11)8-10(16)4-6-14/h1-2,9-10H,3-8,13-16H2
InChIKeyGMXAWEGIGFRSQD-UHFFFAOYSA-N
MW256.42 g/mol
LogP0.19
Rot. Bonds8

About 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine

4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine (PubChem CID 91468234) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine.

Molecular Properties

Compound Name4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
PubChem CID91468234
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
SMILESNCCC(N)Cc1ccc(CC(N)CCN)s1
InChIInChI=1S/C12H24N4S/c13-5-3-9(15)7-11-1-2-12(17-11)8-10(16)4-6-14/h1-2,9-10H,3-8,13-16H2
InChIKeyGMXAWEGIGFRSQD-UHFFFAOYSA-N
XLogP0.19
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine?
The IUPAC name of 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine (CID 91468234) is 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine.
What is the SMILES notation for 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine?
The canonical SMILES for 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine is NCCC(N)Cc1ccc(CC(N)CCN)s1.
What is the InChIKey of 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine?
The InChIKey is GMXAWEGIGFRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c13-5-3-9(15)7-11-1-2-12(17-11)8-10(16)4-6-14/h1-2,9-10H,3-8,13-16H2.
What are the key properties of 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine?
4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine has a molecular weight of 256.42 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine is sourced from PubChem (CID 91468234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).