N,N'-di(propan-2-yl)methanediimine

C7H14N2 — CID 12734

IUPACN,N'-di(propan-2-yl)methanediimine
SMILESCC(C)N=C=NC(C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
InChIKeyBDNKZNFMNDZQMI-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.98
Rot. Bonds2

About N,N'-di(propan-2-yl)methanediimine

N,N'-di(propan-2-yl)methanediimine (PubChem CID 12734) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)methanediimine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)methanediimine
PubChem CID12734
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N'-di(propan-2-yl)methanediimine
SMILESCC(C)N=C=NC(C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
InChIKeyBDNKZNFMNDZQMI-UHFFFAOYSA-N
XLogP1.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12725951
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CID 12462583
CID 12462583
CID 12594242
CID 12594242
CID 18695318
CID 18695318
CID 19089136
CID 19089136
CID 19917292
CID 19917292
CID 22149521
CID 22149521
CID 12447458
CID 12447458
CID 14977298
CID 14977298

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)methanediimine?
The IUPAC name of N,N'-di(propan-2-yl)methanediimine (CID 12734) is N,N'-di(propan-2-yl)methanediimine.
What is the SMILES notation for N,N'-di(propan-2-yl)methanediimine?
The canonical SMILES for N,N'-di(propan-2-yl)methanediimine is CC(C)N=C=NC(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)methanediimine?
The InChIKey is BDNKZNFMNDZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)methanediimine?
N,N'-di(propan-2-yl)methanediimine has a molecular weight of 126.20 g/mol, XLogP of 1.98, 2 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)methanediimine is sourced from PubChem (CID 12734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).