N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine

C13H24BrNO — CID 102860877

IUPACN-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
SMILESCC1(C)CCC(CN(CCBr)C2CCC2)O1
InChIInChI=1S/C13H24BrNO/c1-13(2)7-6-12(16-13)10-15(9-8-14)11-4-3-5-11/h11-12H,3-10H2,1-2H3
InChIKeyZCFZVVRGUPKMAA-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.19
Rot. Bonds5

About N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine

N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine (PubChem CID 102860877) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
PubChem CID102860877
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
SMILESCC1(C)CCC(CN(CCBr)C2CCC2)O1
InChIInChI=1S/C13H24BrNO/c1-13(2)7-6-12(16-13)10-15(9-8-14)11-4-3-5-11/h11-12H,3-10H2,1-2H3
InChIKeyZCFZVVRGUPKMAA-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.19
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-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2-difluoroethanamine
CID 107487438
N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488256
N,3-dimethyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 131199766
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 132093015
2-(2-Ethoxypropan-2-yl)-1-methylpyrrolidine
CID 153584558
1-Methyl-2-(1-propan-2-yloxycyclobutyl)pyrrolidine
CID 156062298
(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine
CID 171756306
(2S,4R)-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 175612196
(2S,4S)-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 175612197
(2S)-1-methyl-2-[(1S)-1-(2-methylpentan-2-yloxy)ethyl]pyrrolidine
CID 175614309
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 65009471
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65009523

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine (CID 102860877) is N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine is CC1(C)CCC(CN(CCBr)C2CCC2)O1.
What is the InChIKey of N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
The InChIKey is ZCFZVVRGUPKMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-13(2)7-6-12(16-13)10-15(9-8-14)11-4-3-5-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine?
N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine has a molecular weight of 290.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 102860877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).