5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline

C16H23BrN2 — CID 115557187

IUPAC5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline
SMILESNc1cc(CN2CCC3(CCCC3)CC2)ccc1Br
InChIInChI=1S/C16H23BrN2/c17-14-4-3-13(11-15(14)18)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyRNKVWGOYZAGVRK-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.19
Rot. Bonds2

About 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline

5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline (PubChem CID 115557187) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline.

Molecular Properties

Compound Name5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline
PubChem CID115557187
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline
SMILESNc1cc(CN2CCC3(CCCC3)CC2)ccc1Br
InChIInChI=1S/C16H23BrN2/c17-14-4-3-13(11-15(14)18)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyRNKVWGOYZAGVRK-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-methylaniline
CID 62930793
2-bromo-5-[(4-methylpiperidin-1-yl)methyl]aniline
CID 115556945
2-bromo-5-[(4-propylpiperazin-1-yl)methyl]aniline
CID 115556962
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
2-bromo-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 115557190
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-fluoroaniline
CID 115980050
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-2-bromoaniline
CID 115557249
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
2-bromo-5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]aniline
CID 103531057
2-bromo-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 115557236
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868

Frequently Asked Questions

What is the IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline?
The IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline (CID 115557187) is 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline.
What is the SMILES notation for 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline?
The canonical SMILES for 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline is Nc1cc(CN2CCC3(CCCC3)CC2)ccc1Br.
What is the InChIKey of 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline?
The InChIKey is RNKVWGOYZAGVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-14-4-3-13(11-15(14)18)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2.
What are the key properties of 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline?
5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline has a molecular weight of 323.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline is sourced from PubChem (CID 115557187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).