[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine

C5H10Br2N2O — CID 137347150

IUPAC[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine
SMILESNCC1(CN)COC1(Br)Br
InChIInChI=1S/C5H10Br2N2O/c6-5(7)4(1-8,2-9)3-10-5/h1-3,8-9H2
InChIKeyLVKKSXMPNIZEBB-UHFFFAOYSA-N
MW273.96 g/mol
LogP0.36
Rot. Bonds2

About [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine

[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine (PubChem CID 137347150) has the molecular formula C5H10Br2N2O and a molecular weight of 273.96 g/mol. Its IUPAC name is [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine
PubChem CID137347150
Molecular FormulaC5H10Br2N2O
Molecular Weight273.96 g/mol
Exact Mass271.92
IUPAC Name[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine
SMILESNCC1(CN)COC1(Br)Br
InChIInChI=1S/C5H10Br2N2O/c6-5(7)4(1-8,2-9)3-10-5/h1-3,8-9H2
InChIKeyLVKKSXMPNIZEBB-UHFFFAOYSA-N
XLogP0.36
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.96
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine
CID 163601961
2-bromo-2-(bromomethyl)oxirane
CID 142696994
(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
CID 155973045
1-[3-(aminomethyl)oxetan-3-yl]ethanone
CID 116922670
2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
CID 19897960
4-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
CID 154853032
[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine
CID 14537230
(4-propoxyoxan-4-yl)methanamine
CID 65051760
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine?
The IUPAC name of [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine (CID 137347150) is [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine?
The canonical SMILES for [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine is NCC1(CN)COC1(Br)Br.
What is the InChIKey of [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine?
The InChIKey is LVKKSXMPNIZEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2N2O/c6-5(7)4(1-8,2-9)3-10-5/h1-3,8-9H2.
What are the key properties of [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine?
[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine has a molecular weight of 273.96 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine is sourced from PubChem (CID 137347150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).