trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine

C14H27N — CID 135050335

IUPACtrans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
SMILESCCC/N=C1\CC[C@@H](C(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H27N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h11-12H,6-10H2,1-5H3/b15-13+/t11-,12-/m1/s1
InChIKeyCGFYHZZIYNPIOK-IDNUSFOCSA-N
MW209.38 g/mol
LogP4.32
Rot. Bonds2

About trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine

trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine (PubChem CID 135050335) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine.

Molecular Properties

Compound Nametrans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
PubChem CID135050335
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nametrans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
SMILESCCC/N=C1\CC[C@@H](C(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H27N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h11-12H,6-10H2,1-5H3/b15-13+/t11-,12-/m1/s1
InChIKeyCGFYHZZIYNPIOK-IDNUSFOCSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.32
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

1-N,3-N,5,5-tetramethylcyclohexane-1,3-diimine
CID 91431640
N-(2,6-dimethylcyclohexylidene)-2-propanamine
CID 11457899
1-Methyl-2-azaspiro[4.5]dec-1-ene
CID 101961579
1-cyclohexyl-N-propylethanimine
CID 11095012
6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
CID 11286681
2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine
CID 86057286
3-Propyl-2-azaspiro[4.5]dec-2-ene
CID 102196249
cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
CID 134889524
cis-(2S,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
CID 134889557
trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine
CID 134905587
cis-(2S,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine
CID 134975677
3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine
CID 134987327

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The IUPAC name of trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine (CID 135050335) is trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine.
What is the SMILES notation for trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The canonical SMILES for trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine is CCC/N=C1\CC[C@@H](C(C)(C)C)C[C@H]1C.
What is the InChIKey of trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The InChIKey is CGFYHZZIYNPIOK-IDNUSFOCSA-N. The full InChI is InChI=1S/C14H27N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h11-12H,6-10H2,1-5H3/b15-13+/t11-,12-/m1/s1.
What are the key properties of trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine is sourced from PubChem (CID 135050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).