N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline

C27H38N2 — CID 135199664

IUPACN-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
SMILESCC1CCC(Nc2ccc(Cc3ccc(NC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C27H38N2/c1-20-3-11-24(12-4-20)28-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)29-25-13-5-21(2)6-14-25/h7-10,15-18,20-21,24-25,28-29H,3-6,11-14,19H2,1-2H3
InChIKeyGRSFIILRLUCJEX-UHFFFAOYSA-N
MW390.62 g/mol
LogP7.26
Rot. Bonds6

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

N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline (PubChem CID 135199664) has the molecular formula C27H38N2 and a molecular weight of 390.62 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
PubChem CID135199664
Molecular FormulaC27H38N2
Molecular Weight390.62 g/mol
Exact Mass390.30
IUPAC NameN-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
SMILESCC1CCC(Nc2ccc(Cc3ccc(NC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C27H38N2/c1-20-3-11-24(12-4-20)28-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)29-25-13-5-21(2)6-14-25/h7-10,15-18,20-21,24-25,28-29H,3-6,11-14,19H2,1-2H3
InChIKeyGRSFIILRLUCJEX-UHFFFAOYSA-N
XLogP7.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline with MolForge

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Related Compounds

N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol
CID 18320007
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
CID 115744190
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
CID 65079913
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
2-methoxy-N-[4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43717399
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
N-(4-ethylphenyl)cyclododecanamine
CID 63422898

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline?
The IUPAC name of N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline (CID 135199664) is N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline?
The canonical SMILES for N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline is CC1CCC(Nc2ccc(Cc3ccc(NC4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline?
The InChIKey is GRSFIILRLUCJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2/c1-20-3-11-24(12-4-20)28-26-15-7-22(8-16-26)19-23-9-17-27(18-10-23)29-25-13-5-21(2)6-14-25/h7-10,15-18,20-21,24-25,28-29H,3-6,11-14,19H2,1-2H3.
What are the key properties of N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline?
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline has a molecular weight of 390.62 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline is sourced from PubChem (CID 135199664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).