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

C17H30BrNO — CID 102900982

IUPAC2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCC2(CCCCC2)O1)C1CCCCC1Br
InChIInChI=1S/C17H30BrNO/c1-19(16-8-4-3-7-15(16)18)13-14-9-12-17(20-14)10-5-2-6-11-17/h14-16H,2-13H2,1H3
InChIKeyURBJDILQLLLGRP-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.51
Rot. Bonds3

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

2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102900982) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
PubChem CID102900982
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCC2(CCCCC2)O1)C1CCCCC1Br
InChIInChI=1S/C17H30BrNO/c1-19(16-8-4-3-7-15(16)18)13-14-9-12-17(20-14)10-5-2-6-11-17/h14-16H,2-13H2,1H3
InChIKeyURBJDILQLLLGRP-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.51
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 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine (CID 102900982) is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine is CN(CC1CCC2(CCCCC2)O1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is URBJDILQLLLGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c1-19(16-8-4-3-7-15(16)18)13-14-9-12-17(20-14)10-5-2-6-11-17/h14-16H,2-13H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 344.34 g/mol, XLogP of 4.51, 3 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)cyclohexan-1-amine is sourced from PubChem (CID 102900982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).