1,3-oxazepan-3-amine

C5H12N2O — CID 123655130

IUPAC1,3-oxazepan-3-amine
SMILESNN1CCCCOC1
InChIInChI=1S/C5H12N2O/c6-7-3-1-2-4-8-5-7/h1-6H2
InChIKeyRJBZYOGRIIHSBQ-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.07
Rot. Bonds

About 1,3-oxazepan-3-amine

1,3-oxazepan-3-amine (PubChem CID 123655130) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,3-oxazepan-3-amine.

Molecular Properties

Compound Name1,3-oxazepan-3-amine
PubChem CID123655130
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1,3-oxazepan-3-amine
SMILESNN1CCCCOC1
InChIInChI=1S/C5H12N2O/c6-7-3-1-2-4-8-5-7/h1-6H2
InChIKeyRJBZYOGRIIHSBQ-UHFFFAOYSA-N
XLogP-0.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.07
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-oxazocan-4-amine
CID 163476617
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
hydrazine;oxolane;hydrate
CID 159543883
1,4,7-dioxazonan-7-amine
CID 147560539
methane;bis(1-methylazepane);3-methyl-1,3-oxazinane;1-methylpiperidine;1-methylpyrrolidine
CID 161047976
3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane
CID 6454623
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazepan-3-amine?
The IUPAC name of 1,3-oxazepan-3-amine (CID 123655130) is 1,3-oxazepan-3-amine.
What is the SMILES notation for 1,3-oxazepan-3-amine?
The canonical SMILES for 1,3-oxazepan-3-amine is NN1CCCCOC1.
What is the InChIKey of 1,3-oxazepan-3-amine?
The InChIKey is RJBZYOGRIIHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-7-3-1-2-4-8-5-7/h1-6H2.
What are the key properties of 1,3-oxazepan-3-amine?
1,3-oxazepan-3-amine has a molecular weight of 116.16 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazepan-3-amine is sourced from PubChem (CID 123655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).