N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine

C12H24BrNO — CID 82749590

IUPACN-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
SMILESCCCC(CBr)CN(C)C1CCOC1C
InChIInChI=1S/C12H24BrNO/c1-4-5-11(8-13)9-14(3)12-6-7-15-10(12)2/h10-12H,4-9H2,1-3H3
InChIKeyILLYWTURSVYVBI-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine

N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82749590) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
PubChem CID82749590
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
SMILESCCCC(CBr)CN(C)C1CCOC1C
InChIInChI=1S/C12H24BrNO/c1-4-5-11(8-13)9-14(3)12-6-7-15-10(12)2/h10-12H,4-9H2,1-3H3
InChIKeyILLYWTURSVYVBI-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.91
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-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
CID 65011178
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
1-ethoxy-3-[methyl-(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82748351
2-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82743952
N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65011364
1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
CID 82735203
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine (CID 82749590) is N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine is CCCC(CBr)CN(C)C1CCOC1C.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is ILLYWTURSVYVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-5-11(8-13)9-14(3)12-6-7-15-10(12)2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine?
N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 278.23 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).