N,N'-di(propan-2-yl)pentane-1,5-diimine oxide

C11H22N2O2 — CID 59643789

IUPACN,N'-di(propan-2-yl)pentane-1,5-diimine oxide
SMILESCC(C)/[N+]([O-])=C/CCC/C=[N+](\[O-])C(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2)12(14)8-6-5-7-9-13(15)11(3)4/h8-11H,5-7H2,1-4H3/b12-8-,13-9-
InChIKeyNVIJWHOSUYTFRM-JMVBYTIWSA-N
MW214.31 g/mol
LogP2.14
Rot. Bonds6

About N,N'-di(propan-2-yl)pentane-1,5-diimine oxide

N,N'-di(propan-2-yl)pentane-1,5-diimine oxide (PubChem CID 59643789) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)pentane-1,5-diimine oxide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)pentane-1,5-diimine oxide
PubChem CID59643789
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN,N'-di(propan-2-yl)pentane-1,5-diimine oxide
SMILESCC(C)/[N+]([O-])=C/CCC/C=[N+](\[O-])C(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2)12(14)8-6-5-7-9-13(15)11(3)4/h8-11H,5-7H2,1-4H3/b12-8-,13-9-
InChIKeyNVIJWHOSUYTFRM-JMVBYTIWSA-N
XLogP2.14
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N'-di(propan-2-yl)pentane-1,5-diimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)pentane-1,5-diimine oxide?
The IUPAC name of N,N'-di(propan-2-yl)pentane-1,5-diimine oxide (CID 59643789) is N,N'-di(propan-2-yl)pentane-1,5-diimine oxide.
What is the SMILES notation for N,N'-di(propan-2-yl)pentane-1,5-diimine oxide?
The canonical SMILES for N,N'-di(propan-2-yl)pentane-1,5-diimine oxide is CC(C)/[N+]([O-])=C/CCC/C=[N+](\[O-])C(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)pentane-1,5-diimine oxide?
The InChIKey is NVIJWHOSUYTFRM-JMVBYTIWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)12(14)8-6-5-7-9-13(15)11(3)4/h8-11H,5-7H2,1-4H3/b12-8-,13-9-.
What are the key properties of N,N'-di(propan-2-yl)pentane-1,5-diimine oxide?
N,N'-di(propan-2-yl)pentane-1,5-diimine oxide has a molecular weight of 214.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)pentane-1,5-diimine oxide is sourced from PubChem (CID 59643789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).