N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine

C8H16BrNO — CID 115262142

IUPACN-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CBr)CC1CCOCC1
InChIInChI=1S/C8H16BrNO/c1-10(7-9)6-8-2-4-11-5-3-8/h8H,2-7H2,1H3
InChIKeyNDGZHVWBVFYSIQ-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.70
Rot. Bonds3

About N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine

N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 115262142) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID115262142
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC NameN-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CBr)CC1CCOCC1
InChIInChI=1S/C8H16BrNO/c1-10(7-9)6-8-2-4-11-5-3-8/h8H,2-7H2,1H3
InChIKeyNDGZHVWBVFYSIQ-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
CID 155624811
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N'-methyl-N'-(oxan-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110218
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 115262142) is N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine is CN(CBr)CC1CCOCC1.
What is the InChIKey of N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is NDGZHVWBVFYSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-10(7-9)6-8-2-4-11-5-3-8/h8H,2-7H2,1H3.
What are the key properties of N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine?
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 222.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 115262142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).