1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine

C12H16Br2N2 — CID 79458952

IUPAC1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H16Br2N2/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyIRCDBAVNHIFHTM-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.89
Rot. Bonds2

About 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine

1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine (PubChem CID 79458952) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
PubChem CID79458952
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H16Br2N2/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyIRCDBAVNHIFHTM-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine (CID 79458952) is 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2cc(Br)ccc2Br)C1.
What is the InChIKey of 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine?
The InChIKey is IRCDBAVNHIFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c13-8-4-5-11(14)12(6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2.
What are the key properties of 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine?
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine has a molecular weight of 348.08 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).