5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine

C18H27BrN2 — CID 63420279

IUPAC5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1(CNC2CCc3cc(Br)ccc32)CCCCC1
InChIInChI=1S/C18H27BrN2/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13H2,1-2H3
InChIKeyBSFOAXUVDIFATG-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.29
Rot. Bonds4

About 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 63420279) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID63420279
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1(CNC2CCc3cc(Br)ccc32)CCCCC1
InChIInChI=1S/C18H27BrN2/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13H2,1-2H3
InChIKeyBSFOAXUVDIFATG-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 63420279) is 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine is CN(C)C1(CNC2CCc3cc(Br)ccc32)CCCCC1.
What is the InChIKey of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BSFOAXUVDIFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-21(2)18(10-4-3-5-11-18)13-20-17-9-6-14-12-15(19)7-8-16(14)17/h7-8,12,17,20H,3-6,9-11,13H2,1-2H3.
What are the key properties of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 351.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63420279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).