azane;N'-(3,3-dimethylpentan-2-yl)methanediimine

C8H19N3 — CID 174422789

IUPACazane;N'-(3,3-dimethylpentan-2-yl)methanediimine
SMILESCCC(C)(C)C(C)N=C=N.N
InChIInChI=1S/C8H16N2.H3N/c1-5-8(3,4)7(2)10-6-9;/h7,9H,5H2,1-4H3;1H3
InChIKeyRAUZYTWAUKYNRN-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.73
Rot. Bonds3

About azane;N'-(3,3-dimethylpentan-2-yl)methanediimine

azane;N'-(3,3-dimethylpentan-2-yl)methanediimine (PubChem CID 174422789) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is azane;N'-(3,3-dimethylpentan-2-yl)methanediimine.

Molecular Properties

Compound Nameazane;N'-(3,3-dimethylpentan-2-yl)methanediimine
PubChem CID174422789
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Nameazane;N'-(3,3-dimethylpentan-2-yl)methanediimine
SMILESCCC(C)(C)C(C)N=C=N.N
InChIInChI=1S/C8H16N2.H3N/c1-5-8(3,4)7(2)10-6-9;/h7,9H,5H2,1-4H3;1H3
InChIKeyRAUZYTWAUKYNRN-UHFFFAOYSA-N
XLogP2.73
TPSA71.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N'-(3,3-dimethylpentan-2-yl)methanediimine?
The IUPAC name of azane;N'-(3,3-dimethylpentan-2-yl)methanediimine (CID 174422789) is azane;N'-(3,3-dimethylpentan-2-yl)methanediimine.
What is the SMILES notation for azane;N'-(3,3-dimethylpentan-2-yl)methanediimine?
The canonical SMILES for azane;N'-(3,3-dimethylpentan-2-yl)methanediimine is CCC(C)(C)C(C)N=C=N.N.
What is the InChIKey of azane;N'-(3,3-dimethylpentan-2-yl)methanediimine?
The InChIKey is RAUZYTWAUKYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.H3N/c1-5-8(3,4)7(2)10-6-9;/h7,9H,5H2,1-4H3;1H3.
What are the key properties of azane;N'-(3,3-dimethylpentan-2-yl)methanediimine?
azane;N'-(3,3-dimethylpentan-2-yl)methanediimine has a molecular weight of 157.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N'-(3,3-dimethylpentan-2-yl)methanediimine is sourced from PubChem (CID 174422789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).