1,4-oxazocan-4-amine

C6H14N2O — CID 163476617

IUPAC1,4-oxazocan-4-amine
SMILESNN1CCCCOCC1
InChIInChI=1S/C6H14N2O/c7-8-3-1-2-5-9-6-4-8/h1-7H2
InChIKeyCAYSUPKQTFHKKP-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.03
Rot. Bonds

About 1,4-oxazocan-4-amine

1,4-oxazocan-4-amine (PubChem CID 163476617) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,4-oxazocan-4-amine.

Molecular Properties

Compound Name1,4-oxazocan-4-amine
PubChem CID163476617
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,4-oxazocan-4-amine
SMILESNN1CCCCOCC1
InChIInChI=1S/C6H14N2O/c7-8-3-1-2-5-9-6-4-8/h1-7H2
InChIKeyCAYSUPKQTFHKKP-UHFFFAOYSA-N
XLogP-0.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-dioxazonan-7-amine
CID 147560539
1,3-oxazepan-3-amine
CID 123655130
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
morpholin-4-amine;pyrimidine
CID 174732993
hydrazine;oxolane;hydrate
CID 159543883
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
oxolane;oxonane
CID 159283889
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazocan-4-amine?
The IUPAC name of 1,4-oxazocan-4-amine (CID 163476617) is 1,4-oxazocan-4-amine.
What is the SMILES notation for 1,4-oxazocan-4-amine?
The canonical SMILES for 1,4-oxazocan-4-amine is NN1CCCCOCC1.
What is the InChIKey of 1,4-oxazocan-4-amine?
The InChIKey is CAYSUPKQTFHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-8-3-1-2-5-9-6-4-8/h1-7H2.
What are the key properties of 1,4-oxazocan-4-amine?
1,4-oxazocan-4-amine has a molecular weight of 130.19 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazocan-4-amine is sourced from PubChem (CID 163476617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).