1,4,7-dioxazonan-7-amine

C6H14N2O2 — CID 147560539

IUPAC1,4,7-dioxazonan-7-amine
SMILESNN1CCOCCOCC1
InChIInChI=1S/C6H14N2O2/c7-8-1-3-9-5-6-10-4-2-8/h1-7H2
InChIKeyFSNWKJCXDDLJKX-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.79
Rot. Bonds

About 1,4,7-dioxazonan-7-amine

1,4,7-dioxazonan-7-amine (PubChem CID 147560539) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,4,7-dioxazonan-7-amine.

Molecular Properties

Compound Name1,4,7-dioxazonan-7-amine
PubChem CID147560539
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1,4,7-dioxazonan-7-amine
SMILESNN1CCOCCOCC1
InChIInChI=1S/C6H14N2O2/c7-8-1-3-9-5-6-10-4-2-8/h1-7H2
InChIKeyFSNWKJCXDDLJKX-UHFFFAOYSA-N
XLogP-0.79
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-oxazocan-4-amine
CID 163476617
morpholin-4-amine;pyrimidine
CID 174732993
1,4-dioxane
CID 161483686
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
CID 23689698
4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
CID 58981463
1,4-dioxane;stannane
CID 174822243
argon;1,4-dioxane
CID 87641547
1,4-dioxane;silver
CID 157261770
diamino(dimorpholin-4-yl)phosphanium
CID 23415033
CID 135034340
CID 135034340
morpholin-4-ylazanide
CID 59315595

Frequently Asked Questions

What is the IUPAC name of 1,4,7-dioxazonan-7-amine?
The IUPAC name of 1,4,7-dioxazonan-7-amine (CID 147560539) is 1,4,7-dioxazonan-7-amine.
What is the SMILES notation for 1,4,7-dioxazonan-7-amine?
The canonical SMILES for 1,4,7-dioxazonan-7-amine is NN1CCOCCOCC1.
What is the InChIKey of 1,4,7-dioxazonan-7-amine?
The InChIKey is FSNWKJCXDDLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-8-1-3-9-5-6-10-4-2-8/h1-7H2.
What are the key properties of 1,4,7-dioxazonan-7-amine?
1,4,7-dioxazonan-7-amine has a molecular weight of 146.19 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-dioxazonan-7-amine is sourced from PubChem (CID 147560539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).