1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine

C17H25BrN2 — CID 63158654

IUPAC1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H25BrN2/c1-19-13-14-4-5-15(18)12-16(14)20-10-8-17(9-11-20)6-2-3-7-17/h4-5,12,19H,2-3,6-11,13H2,1H3
InChIKeyJGJRJHKGQOMTPF-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.33
Rot. Bonds3

About 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine

1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine (PubChem CID 63158654) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
PubChem CID63158654
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H25BrN2/c1-19-13-14-4-5-15(18)12-16(14)20-10-8-17(9-11-20)6-2-3-7-17/h4-5,12,19H,2-3,6-11,13H2,1H3
InChIKeyJGJRJHKGQOMTPF-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine (CID 63158654) is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine?
The InChIKey is JGJRJHKGQOMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-19-13-14-4-5-15(18)12-16(14)20-10-8-17(9-11-20)6-2-3-7-17/h4-5,12,19H,2-3,6-11,13H2,1H3.
What are the key properties of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine?
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine has a molecular weight of 337.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine is sourced from PubChem (CID 63158654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).