N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline

C33H50N2 — CID 135199670

IUPACN-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
SMILESCC(C)(C)C1CCC(Nc2ccc(Cc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)cc2)CC1
InChIInChI=1S/C33H50N2/c1-32(2,3)26-11-19-30(20-12-26)34-28-15-7-24(8-16-28)23-25-9-17-29(18-10-25)35-31-21-13-27(14-22-31)33(4,5)6/h7-10,15-18,26-27,30-31,34-35H,11-14,19-23H2,1-6H3
InChIKeyHPRFYZJGECLHMQ-UHFFFAOYSA-N
MW474.78 g/mol
LogP9.31
Rot. Bonds6

About N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline

N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline (PubChem CID 135199670) has the molecular formula C33H50N2 and a molecular weight of 474.78 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
PubChem CID135199670
Molecular FormulaC33H50N2
Molecular Weight474.78 g/mol
Exact Mass474.40
IUPAC NameN-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
SMILESCC(C)(C)C1CCC(Nc2ccc(Cc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)cc2)CC1
InChIInChI=1S/C33H50N2/c1-32(2,3)26-11-19-30(20-12-26)34-28-15-7-24(8-16-28)23-25-9-17-29(18-10-25)35-31-21-13-27(14-22-31)33(4,5)6/h7-10,15-18,26-27,30-31,34-35H,11-14,19-23H2,1-6H3
InChIKeyHPRFYZJGECLHMQ-UHFFFAOYSA-N
XLogP9.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
CID 28523701
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol
CID 65089489
N-(4-tert-butylcyclohexyl)-3-methylsulfanylaniline
CID 28533619
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
CID 175501471

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline (CID 135199670) is N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline is CC(C)(C)C1CCC(Nc2ccc(Cc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)cc2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline?
The InChIKey is HPRFYZJGECLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2/c1-32(2,3)26-11-19-30(20-12-26)34-28-15-7-24(8-16-28)23-25-9-17-29(18-10-25)35-31-21-13-27(14-22-31)33(4,5)6/h7-10,15-18,26-27,30-31,34-35H,11-14,19-23H2,1-6H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline?
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline has a molecular weight of 474.78 g/mol, XLogP of 9.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline is sourced from PubChem (CID 135199670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).