4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine

C15H21BrN2 — CID 55062243

IUPAC4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C15H21BrN2/c16-11-2-7-14-10(9-11)1-8-15(14)18-13-5-3-12(17)4-6-13/h2,7,9,12-13,15,18H,1,3-6,8,17H2
InChIKeyJNBLCTIKAPWDEY-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.30
Rot. Bonds2

About 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine

4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine (PubChem CID 55062243) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
PubChem CID55062243
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C15H21BrN2/c16-11-2-7-14-10(9-11)1-8-15(14)18-13-5-3-12(17)4-6-13/h2,7,9,12-13,15,18H,1,3-6,8,17H2
InChIKeyJNBLCTIKAPWDEY-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine (CID 55062243) is 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine is NC1CCC(NC2CCc3cc(Br)ccc32)CC1.
What is the InChIKey of 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine?
The InChIKey is JNBLCTIKAPWDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-11-2-7-14-10(9-11)1-8-15(14)18-13-5-3-12(17)4-6-13/h2,7,9,12-13,15,18H,1,3-6,8,17H2.
What are the key properties of 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine?
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine has a molecular weight of 309.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 55062243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).