N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

C17H24BrN — CID 65008248

IUPACN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccccc2Br)CC2(CC2)C1
InChIInChI=1S/C17H24BrN/c1-13(2)9-19-12-17(10-16(11-17)7-8-16)14-5-3-4-6-15(14)18/h3-6,13,19H,7-12H2,1-2H3
InChIKeyIGQAKPDSWDXVCB-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.51
Rot. Bonds5

About N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65008248) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65008248
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC NameN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccccc2Br)CC2(CC2)C1
InChIInChI=1S/C17H24BrN/c1-13(2)9-19-12-17(10-16(11-17)7-8-16)14-5-3-4-6-15(14)18/h3-6,13,19H,7-12H2,1-2H3
InChIKeyIGQAKPDSWDXVCB-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (CID 65008248) is N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccccc2Br)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IGQAKPDSWDXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-13(2)9-19-12-17(10-16(11-17)7-8-16)14-5-3-4-6-15(14)18/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65008248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).