[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide

C7H17N3O — CID 163500058

IUPAC[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide
SMILESCC1CC(N[NH+](C)[NH-])CCO1
InChIInChI=1S/C7H17N3O/c1-6-5-7(3-4-11-6)9-10(2)8/h6-10H,3-5H2,1-2H3
InChIKeyCTYQGXHOVRFCOY-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.46
Rot. Bonds2

About [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide

[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide (PubChem CID 163500058) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide.

Molecular Properties

Compound Name[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide
PubChem CID163500058
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide
SMILESCC1CC(N[NH+](C)[NH-])CCO1
InChIInChI=1S/C7H17N3O/c1-6-5-7(3-4-11-6)9-10(2)8/h6-10H,3-5H2,1-2H3
InChIKeyCTYQGXHOVRFCOY-UHFFFAOYSA-N
XLogP-0.46
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide?
The IUPAC name of [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide (CID 163500058) is [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide.
What is the SMILES notation for [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide?
The canonical SMILES for [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide is CC1CC(N[NH+](C)[NH-])CCO1.
What is the InChIKey of [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide?
The InChIKey is CTYQGXHOVRFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6-5-7(3-4-11-6)9-10(2)8/h6-10H,3-5H2,1-2H3.
What are the key properties of [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide?
[methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide has a molecular weight of 159.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2-methyloxan-4-yl)amino]azaniumyl]azanide is sourced from PubChem (CID 163500058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).