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

C14H26BrNO — CID 102900921

IUPAC1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
SMILESCC(CBr)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26BrNO/c1-12(10-15)16(2)11-13-6-9-14(17-13)7-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyFBLMOJSCCSNBQW-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.58
Rot. Bonds4

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

1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine (PubChem CID 102900921) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
PubChem CID102900921
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
SMILESCC(CBr)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26BrNO/c1-12(10-15)16(2)11-13-6-9-14(17-13)7-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyFBLMOJSCCSNBQW-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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine (CID 102900921) is 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine is CC(CBr)N(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The InChIKey is FBLMOJSCCSNBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12(10-15)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 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-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 1-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 102900921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).