N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine

C15H26BrNO — CID 102900856

IUPACN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C15H26BrNO/c16-10-11-17(13-4-5-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyWWNDDJZQRKXUBN-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.73
Rot. Bonds5

About N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine (PubChem CID 102900856) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
PubChem CID102900856
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C15H26BrNO/c16-10-11-17(13-4-5-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyWWNDDJZQRKXUBN-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487449
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488265
2-[Cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
3-[Cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848124
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
CID 102900767
2-(2-Bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900848
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102900849
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900850
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900852
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900855
2-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900858
3-Bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
CID 102900860

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine (CID 102900856) is N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine is BrCCN(CC1CCC2(CCCCC2)O1)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine?
The InChIKey is WWNDDJZQRKXUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c16-10-11-17(13-4-5-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2.
What are the key properties of N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine has a molecular weight of 316.28 g/mol, XLogP of 3.73, 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[4.5]decan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 102900856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).