1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C32H36N2P2 — CID 12980294

IUPAC1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(C1CCCCC1N(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2P2/c1-33(35(27-17-7-3-8-18-27)28-19-9-4-10-20-28)31-25-15-16-26-32(31)34(2)36(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24,31-32H,15-16,25-26H2,1-2H3
InChIKeyOGCGUDUWPUWVRD-UHFFFAOYSA-N
MW510.60 g/mol
LogP6.26
Rot. Bonds8

About 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 12980294) has the molecular formula C32H36N2P2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID12980294
Molecular FormulaC32H36N2P2
Molecular Weight510.60 g/mol
Exact Mass510.24
IUPAC Name1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN(C1CCCCC1N(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2P2/c1-33(35(27-17-7-3-8-18-27)28-19-9-4-10-20-28)31-25-15-16-26-32(31)34(2)36(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24,31-32H,15-16,25-26H2,1-2H3
InChIKeyOGCGUDUWPUWVRD-UHFFFAOYSA-N
XLogP6.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 12980294) is 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN(C1CCCCC1N(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is OGCGUDUWPUWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2P2/c1-33(35(27-17-7-3-8-18-27)28-19-9-4-10-20-28)31-25-15-16-26-32(31)34(2)36(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24,31-32H,15-16,25-26H2,1-2H3.
What are the key properties of 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 510.60 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(diphenylphosphanyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 12980294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).