4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C14H20BrN3 — CID 134068437

IUPAC4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1NNCC1CNC1CCc2c(Br)cccc21
InChIInChI=1S/C14H20BrN3/c1-9-10(8-17-18-9)7-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,9-10,14,16-18H,5-8H2,1H3
InChIKeyLGSFNVPVYFNZNV-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.14
Rot. Bonds3

About 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134068437) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134068437
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1NNCC1CNC1CCc2c(Br)cccc21
InChIInChI=1S/C14H20BrN3/c1-9-10(8-17-18-9)7-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,9-10,14,16-18H,5-8H2,1H3
InChIKeyLGSFNVPVYFNZNV-UHFFFAOYSA-N
XLogP2.14
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 134068437) is 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1NNCC1CNC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LGSFNVPVYFNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-9-10(8-17-18-9)7-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,9-10,14,16-18H,5-8H2,1H3.
What are the key properties of 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 310.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).