amino-methyl-(oxepan-4-ylimino)azanium

C7H16N3O+ — CID 144923487

IUPACamino-methyl-(oxepan-4-ylimino)azanium
SMILESC/[N+](N)=N\C1CCCOCC1
InChIInChI=1S/C7H16N3O/c1-10(8)9-7-3-2-5-11-6-4-7/h7H,2-6H2,1H3,(H2,8,9)/q+1
InChIKeyIEDFWJXXTGSLHC-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.52
Rot. Bonds1

About amino-methyl-(oxepan-4-ylimino)azanium

amino-methyl-(oxepan-4-ylimino)azanium (PubChem CID 144923487) has the molecular formula C7H16N3O+ and a molecular weight of 158.22 g/mol. Its IUPAC name is amino-methyl-(oxepan-4-ylimino)azanium.

Molecular Properties

Compound Nameamino-methyl-(oxepan-4-ylimino)azanium
PubChem CID144923487
Molecular FormulaC7H16N3O+
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Nameamino-methyl-(oxepan-4-ylimino)azanium
SMILESC/[N+](N)=N\C1CCCOCC1
InChIInChI=1S/C7H16N3O/c1-10(8)9-7-3-2-5-11-6-4-7/h7H,2-6H2,1H3,(H2,8,9)/q+1
InChIKeyIEDFWJXXTGSLHC-UHFFFAOYSA-N
XLogP0.52
TPSA50.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(oxepan-4-yl)propan-2-amine
CID 84650641
4-bromooxepane
CID 59201645
ethene;1-methylidene-2-(oxan-4-yl)guanidine
CID 156898460
methyl-(oxan-4-yl)-oxoazanium
CID 162003016
methanamine;4-methyloxane
CID 139388754
cyclohexane;4-methyloxane
CID 144563977
2-methyloxolane;oxolane
CID 69253648
3-methyloxane;oxolane
CID 139878979
4-isocyanatooxane
CID 51711953
N-cyclobutyloxepan-4-amine
CID 65079311
CID 172830117
CID 172830117
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455

Frequently Asked Questions

What is the IUPAC name of amino-methyl-(oxepan-4-ylimino)azanium?
The IUPAC name of amino-methyl-(oxepan-4-ylimino)azanium (CID 144923487) is amino-methyl-(oxepan-4-ylimino)azanium.
What is the SMILES notation for amino-methyl-(oxepan-4-ylimino)azanium?
The canonical SMILES for amino-methyl-(oxepan-4-ylimino)azanium is C/[N+](N)=N\C1CCCOCC1.
What is the InChIKey of amino-methyl-(oxepan-4-ylimino)azanium?
The InChIKey is IEDFWJXXTGSLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O/c1-10(8)9-7-3-2-5-11-6-4-7/h7H,2-6H2,1H3,(H2,8,9)/q+1.
What are the key properties of amino-methyl-(oxepan-4-ylimino)azanium?
amino-methyl-(oxepan-4-ylimino)azanium has a molecular weight of 158.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-(oxepan-4-ylimino)azanium is sourced from PubChem (CID 144923487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).