N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

C15H28BrNO — CID 65006542

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1(CBr)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-17(11-14-5-9-18-10-6-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3
InChIKeyKHUPHGMMJOXDKY-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.69
Rot. Bonds5

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

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 65006542) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID65006542
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1(CBr)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-17(11-14-5-9-18-10-6-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3
InChIKeyKHUPHGMMJOXDKY-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.69
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-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 65013492
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742120
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63705880

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 65006542) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is CN(CC1CCOCC1)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is KHUPHGMMJOXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-17(11-14-5-9-18-10-6-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 318.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 65006542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).