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

C12H19N — CID 58916542

IUPACN,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
SMILESCC(C)/N=C1\C=CC=CC1C(C)C
InChIInChI=1S/C12H19N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-11H,1-4H3/b13-12+
InChIKeyZGNQDFNEYVMHSB-OUKQBFOZSA-N
MW177.29 g/mol
LogP3.23
Rot. Bonds2

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

N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine (PubChem CID 58916542) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
PubChem CID58916542
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
SMILESCC(C)/N=C1\C=CC=CC1C(C)C
InChIInChI=1S/C12H19N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-11H,1-4H3/b13-12+
InChIKeyZGNQDFNEYVMHSB-OUKQBFOZSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
2-methyl-3,3a-dihydro-2H-indole
CID 57683757
2-methyl-3-propyl-3a,7a-dihydro-3H-indole
CID 59106252
N-(4-methylpentan-2-yl)cyclohexa-2,5-dien-1-imine
CID 66749595
(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 67991604
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
(6Z)-6-[(2,4-dimethylcyclobutyl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 68261447
2-Methyl-6-propan-2-yl-2,3-dihydropyridine
CID 77393444
N-[(2S)-butan-2-yl]-1-cyclohexa-2,4-dien-1-ylethanimine
CID 87945903
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
N-ethyl-3,6-dimethylcyclohexa-2,4-dien-1-imine
CID 89534872

Frequently Asked Questions

What is the IUPAC name of N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine (CID 58916542) is N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine is CC(C)/N=C1\C=CC=CC1C(C)C.
What is the InChIKey of N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
The InChIKey is ZGNQDFNEYVMHSB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-11H,1-4H3/b13-12+.
What are the key properties of N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine?
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 58916542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).