2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine

C10H17BrN2S — CID 83934966

IUPAC2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccc(Br)s1)C(CN)CN
InChIInChI=1S/C10H17BrN2S/c1-7(8(5-12)6-13)4-9-2-3-10(11)14-9/h2-3,7-8H,4-6,12-13H2,1H3
InChIKeyKQEFWOQZDMHEPV-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine

2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine (PubChem CID 83934966) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine
PubChem CID83934966
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccc(Br)s1)C(CN)CN
InChIInChI=1S/C10H17BrN2S/c1-7(8(5-12)6-13)4-9-2-3-10(11)14-9/h2-3,7-8H,4-6,12-13H2,1H3
InChIKeyKQEFWOQZDMHEPV-UHFFFAOYSA-N
XLogP2.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine (CID 83934966) is 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine is CC(Cc1ccc(Br)s1)C(CN)CN.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine?
The InChIKey is KQEFWOQZDMHEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-7(8(5-12)6-13)4-9-2-3-10(11)14-9/h2-3,7-8H,4-6,12-13H2,1H3.
What are the key properties of 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine?
2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83934966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).