2,6-di(propan-2-yl)cyclohex-2-en-1-imine

C12H21N — CID 123485492

IUPAC2,6-di(propan-2-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(C(C)C)=CCCC1C(C)C
InChIInChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9,11,13H,5,7H2,1-4H3/b13-12+
InChIKeyMHLWGPKBWLSIDI-OUKQBFOZSA-N
MW179.31 g/mol
LogP3.65
Rot. Bonds2

About 2,6-di(propan-2-yl)cyclohex-2-en-1-imine

2,6-di(propan-2-yl)cyclohex-2-en-1-imine (PubChem CID 123485492) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)cyclohex-2-en-1-imine
PubChem CID123485492
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,6-di(propan-2-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(C(C)C)=CCCC1C(C)C
InChIInChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9,11,13H,5,7H2,1-4H3/b13-12+
InChIKeyMHLWGPKBWLSIDI-OUKQBFOZSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(e)-(+/-)-2-Methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)cyclohex-2-en-1-imine?
The IUPAC name of 2,6-di(propan-2-yl)cyclohex-2-en-1-imine (CID 123485492) is 2,6-di(propan-2-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 2,6-di(propan-2-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 2,6-di(propan-2-yl)cyclohex-2-en-1-imine is [H]/N=C1\C(C(C)C)=CCCC1C(C)C.
What is the InChIKey of 2,6-di(propan-2-yl)cyclohex-2-en-1-imine?
The InChIKey is MHLWGPKBWLSIDI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9,11,13H,5,7H2,1-4H3/b13-12+.
What are the key properties of 2,6-di(propan-2-yl)cyclohex-2-en-1-imine?
2,6-di(propan-2-yl)cyclohex-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123485492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).