1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine

C18H26BrN — CID 65007341

IUPAC1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Br)cc2)CC2(CCCCCC2)C1
InChIInChI=1S/C18H26BrN/c1-20-14-18(15-6-8-16(19)9-7-15)12-17(13-18)10-4-2-3-5-11-17/h6-9,20H,2-5,10-14H2,1H3
InChIKeyKKQVPVAVLLRLHU-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.04
Rot. Bonds3

About 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine

1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine (PubChem CID 65007341) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
PubChem CID65007341
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Br)cc2)CC2(CCCCCC2)C1
InChIInChI=1S/C18H26BrN/c1-20-14-18(15-6-8-16(19)9-7-15)12-17(13-18)10-4-2-3-5-11-17/h6-9,20H,2-5,10-14H2,1H3
InChIKeyKKQVPVAVLLRLHU-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007343
N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722
1-[2-(2-bromophenyl)spiro[3.3]heptan-2-yl]-N-methylmethanamine
CID 65009563
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006915
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine (CID 65007341) is 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine is CNCC1(c2ccc(Br)cc2)CC2(CCCCCC2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The InChIKey is KKQVPVAVLLRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN/c1-20-14-18(15-6-8-16(19)9-7-15)12-17(13-18)10-4-2-3-5-11-17/h6-9,20H,2-5,10-14H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine has a molecular weight of 336.32 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65007341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).