(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium

C10H22N2O2+2 — CID 58301386

IUPAC(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium
SMILESCOC(=[NH2+])CCCCCCC(=[NH2+])CO
InChIInChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/p+2
InChIKeyPQYASAVRZVARSU-UHFFFAOYSA-P
MW202.30 g/mol
LogP-1.68
Rot. Bonds8

About (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium

(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium (PubChem CID 58301386) has the molecular formula C10H22N2O2+2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium.

Molecular Properties

Compound Name(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium
PubChem CID58301386
Molecular FormulaC10H22N2O2+2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium
SMILESCOC(=[NH2+])CCCCCCC(=[NH2+])CO
InChIInChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/p+2
InChIKeyPQYASAVRZVARSU-UHFFFAOYSA-P
XLogP-1.68
TPSA80.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium?
The IUPAC name of (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium (CID 58301386) is (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium.
What is the SMILES notation for (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium?
The canonical SMILES for (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium is COC(=[NH2+])CCCCCCC(=[NH2+])CO.
What is the InChIKey of (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium?
The InChIKey is PQYASAVRZVARSU-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/p+2.
What are the key properties of (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium?
(9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium has a molecular weight of 202.30 g/mol, XLogP of -1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium is sourced from PubChem (CID 58301386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).