2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine

C6H16N4O2 — CID 163601961

IUPAC2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine
SMILESNCC1(N)COC(N)(CN)CO1
InChIInChI=1S/C6H16N4O2/c7-1-5(9)3-12-6(10,2-8)4-11-5/h1-4,7-10H2
InChIKeyGYKNOTQFUGFYPJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP-2.74
Rot. Bonds2

About 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine

2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine (PubChem CID 163601961) has the molecular formula C6H16N4O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine.

Molecular Properties

Compound Name2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine
PubChem CID163601961
Molecular FormulaC6H16N4O2
Molecular Weight176.22 g/mol
Exact Mass176.13
IUPAC Name2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine
SMILESNCC1(N)COC(N)(CN)CO1
InChIInChI=1S/C6H16N4O2/c7-1-5(9)3-12-6(10,2-8)4-11-5/h1-4,7-10H2
InChIKeyGYKNOTQFUGFYPJ-UHFFFAOYSA-N
XLogP-2.74
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine
CID 137347150
(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
CID 155973045
4-(aminomethyl)oxan-4-amine
CID 43608727
2-octyloxiran-2-amine
CID 87096100
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
1-[3-(aminomethyl)oxetan-3-yl]ethanone
CID 116922670
2-amino-2-(aminomethyl)cyclopentane-1,3-dione
CID 90989105
(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
CID 155943666
(4-chlorooxan-4-yl)methanamine;hydrochloride
CID 146050323
1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
CID 123911016
(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 154853019
2-bromo-2-(bromomethyl)oxirane
CID 142696994

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine?
The IUPAC name of 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine (CID 163601961) is 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine.
What is the SMILES notation for 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine?
The canonical SMILES for 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine is NCC1(N)COC(N)(CN)CO1.
What is the InChIKey of 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine?
The InChIKey is GYKNOTQFUGFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2/c7-1-5(9)3-12-6(10,2-8)4-11-5/h1-4,7-10H2.
What are the key properties of 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine?
2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine has a molecular weight of 176.22 g/mol, XLogP of -2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine is sourced from PubChem (CID 163601961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).