N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline

C36H52N2 — CID 89467899

IUPACN,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline
SMILESc1cc(N(C2CCCCC2)C2CCCCC2)ccc1-c1ccc(N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C36H52N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h21-28,31-34H,1-20H2
InChIKeyNPZDNLICCKWCGP-UHFFFAOYSA-N
MW512.83 g/mol
LogP10.30
Rot. Bonds7

About N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline

N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline (PubChem CID 89467899) has the molecular formula C36H52N2 and a molecular weight of 512.83 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline
PubChem CID89467899
Molecular FormulaC36H52N2
Molecular Weight512.83 g/mol
Exact Mass512.41
IUPAC NameN,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline
SMILESc1cc(N(C2CCCCC2)C2CCCCC2)ccc1-c1ccc(N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C36H52N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h21-28,31-34H,1-20H2
InChIKeyNPZDNLICCKWCGP-UHFFFAOYSA-N
XLogP10.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.83
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline?
The IUPAC name of N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline (CID 89467899) is N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline.
What is the SMILES notation for N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline?
The canonical SMILES for N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline is c1cc(N(C2CCCCC2)C2CCCCC2)ccc1-c1ccc(N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline?
The InChIKey is NPZDNLICCKWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h21-28,31-34H,1-20H2.
What are the key properties of N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline?
N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline has a molecular weight of 512.83 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline is sourced from PubChem (CID 89467899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).