N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine

C15H30BrNO — CID 65004978

IUPACN-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
SMILESCCCC(CBr)(CCC)CN(C)C1CCOCC1
InChIInChI=1S/C15H30BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)14-6-10-18-11-7-14/h14H,4-13H2,1-3H3
InChIKeyJXUYVNZHRNBETE-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.08
Rot. Bonds8

About N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine

N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine (PubChem CID 65004978) has the molecular formula C15H30BrNO and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
PubChem CID65004978
Molecular FormulaC15H30BrNO
Molecular Weight320.32 g/mol
Exact Mass319.15
IUPAC NameN-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
SMILESCCCC(CBr)(CCC)CN(C)C1CCOCC1
InChIInChI=1S/C15H30BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)14-6-10-18-11-7-14/h14H,4-13H2,1-3H3
InChIKeyJXUYVNZHRNBETE-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.08
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

2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62258589
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 62834091
2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005083
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butane-1-thiol
CID 82744856
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
4,4-bis(bromomethyl)heptane
CID 79004116
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine (CID 65004978) is N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine is CCCC(CBr)(CCC)CN(C)C1CCOCC1.
What is the InChIKey of N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine?
The InChIKey is JXUYVNZHRNBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)14-6-10-18-11-7-14/h14H,4-13H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine?
N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine has a molecular weight of 320.32 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine is sourced from PubChem (CID 65004978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).