6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine

C12H19N — CID 57034986

IUPAC6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1(C(C)C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)12(10(3)4)8-6-5-7-11(12)13/h5-10,13H,1-4H3/b13-11+
InChIKeyKILNBZGSDOEGDW-ACCUITESSA-N
MW177.29 g/mol
LogP3.43
Rot. Bonds2

About 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine

6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine (PubChem CID 57034986) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
PubChem CID57034986
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1(C(C)C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)12(10(3)4)8-6-5-7-11(12)13/h5-10,13H,1-4H3/b13-11+
InChIKeyKILNBZGSDOEGDW-ACCUITESSA-N
XLogP3.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine (CID 57034986) is 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1(C(C)C)C(C)C.
What is the InChIKey of 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The InChIKey is KILNBZGSDOEGDW-ACCUITESSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)12(10(3)4)8-6-5-7-11(12)13/h5-10,13H,1-4H3/b13-11+.
What are the key properties of 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 57034986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).