2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine

C49H53N2P3 — CID 121308688

IUPAC2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
SMILESCN(C1CCCCC1C1CCCCC1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H53N2P3/c1-50(52(40-24-8-2-9-25-40)41-26-10-3-11-27-41)48-38-22-20-36-46(48)47-37-21-23-39-49(47)51(53(42-28-12-4-13-29-42)43-30-14-5-15-31-43)54(44-32-16-6-17-33-44)45-34-18-7-19-35-45/h2-19,24-35,46-49H,20-23,36-39H2,1H3
InChIKeyDIEALCHDWBDIIK-UHFFFAOYSA-N
MW762.90 g/mol
LogP10.48
Rot. Bonds12

About 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine

2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine (PubChem CID 121308688) has the molecular formula C49H53N2P3 and a molecular weight of 762.90 g/mol. Its IUPAC name is 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
PubChem CID121308688
Molecular FormulaC49H53N2P3
Molecular Weight762.90 g/mol
Exact Mass762.34
IUPAC Name2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
SMILESCN(C1CCCCC1C1CCCCC1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H53N2P3/c1-50(52(40-24-8-2-9-25-40)41-26-10-3-11-27-41)48-38-22-20-36-46(48)47-37-21-23-39-49(47)51(53(42-28-12-4-13-29-42)43-30-14-5-15-31-43)54(44-32-16-6-17-33-44)45-34-18-7-19-35-45/h2-19,24-35,46-49H,20-23,36-39H2,1H3
InChIKeyDIEALCHDWBDIIK-UHFFFAOYSA-N
XLogP10.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 510.48
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

cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
CID 129073733
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)cyclohexane-1,4-diamine
CID 118617411
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
CID 122391114
cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 130394726
cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 129072832
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
CID 15528492
[2-(dimethylamino)cyclohexyl]-diphenylmethanol
CID 11971775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine (CID 121308688) is 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine is CN(C1CCCCC1C1CCCCC1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine?
The InChIKey is DIEALCHDWBDIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53N2P3/c1-50(52(40-24-8-2-9-25-40)41-26-10-3-11-27-41)48-38-22-20-36-46(48)47-37-21-23-39-49(47)51(53(42-28-12-4-13-29-42)43-30-14-5-15-31-43)54(44-32-16-6-17-33-44)45-34-18-7-19-35-45/h2-19,24-35,46-49H,20-23,36-39H2,1H3.
What are the key properties of 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine?
2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine has a molecular weight of 762.90 g/mol, XLogP of 10.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 121308688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).