4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine

C18H27N — CID 14609244

IUPAC4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
SMILESCC(N=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H27N/c1-14(15-8-6-5-7-9-15)19-17-12-10-16(11-13-17)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3/b19-17-
InChIKeyVXXGAAYVISDQOH-ZPHPHTNESA-N
MW257.42 g/mol
LogP5.42
Rot. Bonds2

About 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine

4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine (PubChem CID 14609244) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
PubChem CID14609244
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
SMILESCC(N=C1CCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H27N/c1-14(15-8-6-5-7-9-15)19-17-12-10-16(11-13-17)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3/b19-17-
InChIKeyVXXGAAYVISDQOH-ZPHPHTNESA-N
XLogP5.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.42
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

N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 958705
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine
CID 101271028
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
CID 102093030
phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
CID 15402478
(5R)-5-tert-butyl-1-[(3R)-3-hydroxy-3-phenylpropyl]azepan-2-one
CID 101045284
4-tert-butyl-1-phenylpiperidine
CID 612454
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine?
The IUPAC name of 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine (CID 14609244) is 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine.
What is the SMILES notation for 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine?
The canonical SMILES for 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine is CC(N=C1CCC(C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine?
The InChIKey is VXXGAAYVISDQOH-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H27N/c1-14(15-8-6-5-7-9-15)19-17-12-10-16(11-13-17)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3/b19-17-.
What are the key properties of 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine?
4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine is sourced from PubChem (CID 14609244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).