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

C14H27N — CID 134889524

IUPACcis-(2R,4S)-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-JMTOIOOESA-N
MW209.38 g/mol
LogP4.32
Rot. Bonds2

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

cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine (PubChem CID 134889524) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine.

Molecular Properties

Compound Namecis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine
PubChem CID134889524
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Namecis-(2R,4S)-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-JMTOIOOESA-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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Frequently Asked Questions

What is the IUPAC name of cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The IUPAC name of cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine (CID 134889524) is cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine.
What is the SMILES notation for cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The canonical SMILES for cis-(2R,4S)-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 cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
The InChIKey is CGFYHZZIYNPIOK-JMTOIOOESA-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 cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine?
cis-(2R,4S)-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 cis-(2R,4S)-4-tert-butyl-2-methyl-N-propylcyclohexan-1-imine is sourced from PubChem (CID 134889524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).