N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine

C13H20N2 — CID 151757078

IUPACN'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine
SMILESCC(C)C1=CC=CCC1(N=C=N)C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)12-7-5-6-8-13(12,11(3)4)15-9-14/h5-7,10-11,14H,8H2,1-4H3
InChIKeyRPTUYGZZIOQYTG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.68
Rot. Bonds3

About N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine

N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine (PubChem CID 151757078) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine.

Molecular Properties

Compound NameN'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine
PubChem CID151757078
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine
SMILESCC(C)C1=CC=CCC1(N=C=N)C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)12-7-5-6-8-13(12,11(3)4)15-9-14/h5-7,10-11,14H,8H2,1-4H3
InChIKeyRPTUYGZZIOQYTG-UHFFFAOYSA-N
XLogP3.68
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine?
The IUPAC name of N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine (CID 151757078) is N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine.
What is the SMILES notation for N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine?
The canonical SMILES for N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine is CC(C)C1=CC=CCC1(N=C=N)C(C)C.
What is the InChIKey of N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine?
The InChIKey is RPTUYGZZIOQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)12-7-5-6-8-13(12,11(3)4)15-9-14/h5-7,10-11,14H,8H2,1-4H3.
What are the key properties of N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine?
N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine has a molecular weight of 204.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine is sourced from PubChem (CID 151757078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).