trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine

C15H29N — CID 134905587

IUPACtrans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine
SMILESCCCN=C1[C@H](C)CC(C(C)(C)C)C[C@H]1C
InChIInChI=1S/C15H29N/c1-7-8-16-14-11(2)9-13(10-12(14)3)15(4,5)6/h11-13H,7-10H2,1-6H3/b16-14-/t11-,12-,13?/m1/s1
InChIKeyRKNUEERULGNZLE-WBNQEMEWSA-N
MW223.40 g/mol
LogP4.57
Rot. Bonds2

About trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine

trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine (PubChem CID 134905587) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine.

Molecular Properties

Compound Nametrans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine
PubChem CID134905587
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nametrans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine
SMILESCCCN=C1[C@H](C)CC(C(C)(C)C)C[C@H]1C
InChIInChI=1S/C15H29N/c1-7-8-16-14-11(2)9-13(10-12(14)3)15(4,5)6/h11-13H,7-10H2,1-6H3/b16-14-/t11-,12-,13?/m1/s1
InChIKeyRKNUEERULGNZLE-WBNQEMEWSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine with MolForge

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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
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
trans-(2R,4R)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
CID 135050335

Frequently Asked Questions

What is the IUPAC name of trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine?
The IUPAC name of trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine (CID 134905587) is trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine.
What is the SMILES notation for trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine?
The canonical SMILES for trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine is CCCN=C1[C@H](C)CC(C(C)(C)C)C[C@H]1C.
What is the InChIKey of trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine?
The InChIKey is RKNUEERULGNZLE-WBNQEMEWSA-N. The full InChI is InChI=1S/C15H29N/c1-7-8-16-14-11(2)9-13(10-12(14)3)15(4,5)6/h11-13H,7-10H2,1-6H3/b16-14-/t11-,12-,13?/m1/s1.
What are the key properties of trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine?
trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,6R)-4-tert-butyl-2,6-dimethyl-N-propylcyclohexan-1-imine is sourced from PubChem (CID 134905587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).