N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine

C30H49N2P — CID 21317865

IUPACN-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
SMILESc1ccc(P(N(C2CCCCC2)C2CCCCC2)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C30H49N2P/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h5,14-15,24-29H,1-4,6-13,16-23H2
InChIKeyNREQFPZHICLQQC-UHFFFAOYSA-N
MW468.71 g/mol
LogP8.56
Rot. Bonds7

About N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine

N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine (PubChem CID 21317865) has the molecular formula C30H49N2P and a molecular weight of 468.71 g/mol. Its IUPAC name is N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
PubChem CID21317865
Molecular FormulaC30H49N2P
Molecular Weight468.71 g/mol
Exact Mass468.36
IUPAC NameN-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
SMILESc1ccc(P(N(C2CCCCC2)C2CCCCC2)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C30H49N2P/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h5,14-15,24-29H,1-4,6-13,16-23H2
InChIKeyNREQFPZHICLQQC-UHFFFAOYSA-N
XLogP8.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine
CID 25265844
cyclononyl(diphenyl)phosphane
CID 70908257
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
CID 122391114
cyclodecyl(triphenyl)phosphanium
CID 156526903
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
N,N-dibenzhydrylcyclohexanamine
CID 139723956
N-cyclohexyl-N-fluoroaniline
CID 139617902
CID 89375830
CID 89375830
N-cyclohexyl-N-[(dicyclohexylamino)-[trimethylsilyl-(triphenyl-λ5-phosphanylidene)methyl]phosphanyl]cyclohexanamine
CID 101019815
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline
CID 130246640

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine (CID 21317865) is N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine is c1ccc(P(N(C2CCCCC2)C2CCCCC2)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine?
The InChIKey is NREQFPZHICLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N2P/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h5,14-15,24-29H,1-4,6-13,16-23H2.
What are the key properties of N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine?
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine has a molecular weight of 468.71 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine is sourced from PubChem (CID 21317865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).