N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine

C16H28BrNO — CID 102900864

IUPACN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
SMILESBrCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H28BrNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2
InChIKeyOCLSWUVLEHUDQZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.12
Rot. Bonds5

About N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine

N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine (PubChem CID 102900864) has the molecular formula C16H28BrNO and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
PubChem CID102900864
Molecular FormulaC16H28BrNO
Molecular Weight330.31 g/mol
Exact Mass329.14
IUPAC NameN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
SMILESBrCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H28BrNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2
InChIKeyOCLSWUVLEHUDQZ-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine (CID 102900864) is N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine is BrCCN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
The InChIKey is OCLSWUVLEHUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO/c17-11-12-18(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15H,1-13H2.
What are the key properties of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine?
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine has a molecular weight of 330.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 102900864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).