2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

C14H26BrNO — CID 102900852

IUPAC2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCC(Br)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26BrNO/c1-12(15)10-16(2)11-13-6-9-14(17-13)7-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyCEIYIQLFFPBVQS-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.58
Rot. Bonds4

About 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (PubChem CID 102900852) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
PubChem CID102900852
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCC(Br)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26BrNO/c1-12(15)10-16(2)11-13-6-9-14(17-13)7-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyCEIYIQLFFPBVQS-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.58
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
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 65002371
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 102637319
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848055
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
CID 102848059
2-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848075
2-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848082
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083
1-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol
CID 102848102
2-Methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
CID 102848103

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (CID 102900852) is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is CC(Br)CN(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The InChIKey is CEIYIQLFFPBVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12(15)10-16(2)11-13-6-9-14(17-13)7-4-3-5-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine has a molecular weight of 304.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102900852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).