N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine

C27H43N — CID 57171930

IUPACN-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine
SMILESC/C(Cc1ccc(C2CC(C)(C)CC(C)(C)C2)cc1)=N\CCC1CCCCC1
InChIInChI=1S/C27H43N/c1-21(28-16-15-22-9-7-6-8-10-22)17-23-11-13-24(14-12-23)25-18-26(2,3)20-27(4,5)19-25/h11-14,22,25H,6-10,15-20H2,1-5H3/b28-21+
InChIKeyDXNYDXVWYVHVLP-SGWCAAJKSA-N
MW381.65 g/mol
LogP7.98
Rot. Bonds6

About N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine

N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine (PubChem CID 57171930) has the molecular formula C27H43N and a molecular weight of 381.65 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine
PubChem CID57171930
Molecular FormulaC27H43N
Molecular Weight381.65 g/mol
Exact Mass381.34
IUPAC NameN-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine
SMILESC/C(Cc1ccc(C2CC(C)(C)CC(C)(C)C2)cc1)=N\CCC1CCCCC1
InChIInChI=1S/C27H43N/c1-21(28-16-15-22-9-7-6-8-10-22)17-23-11-13-24(14-12-23)25-18-26(2,3)20-27(4,5)19-25/h11-14,22,25H,6-10,15-20H2,1-5H3/b28-21+
InChIKeyDXNYDXVWYVHVLP-SGWCAAJKSA-N
XLogP7.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 57.98
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 N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine?
The IUPAC name of N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine (CID 57171930) is N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine is C/C(Cc1ccc(C2CC(C)(C)CC(C)(C)C2)cc1)=N\CCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine?
The InChIKey is DXNYDXVWYVHVLP-SGWCAAJKSA-N. The full InChI is InChI=1S/C27H43N/c1-21(28-16-15-22-9-7-6-8-10-22)17-23-11-13-24(14-12-23)25-18-26(2,3)20-27(4,5)19-25/h11-14,22,25H,6-10,15-20H2,1-5H3/b28-21+.
What are the key properties of N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine?
N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine has a molecular weight of 381.65 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine is sourced from PubChem (CID 57171930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).