3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane

C18H24N2P2 — CID 12605483

IUPAC3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane
SMILESCP1CN(c2ccccc2)CP(C)CN(c2ccccc2)C1
InChIInChI=1S/C18H24N2P2/c1-21-13-19(17-9-5-3-6-10-17)15-22(2)16-20(14-21)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyDVTYKRCPKGJEAE-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.07
Rot. Bonds2

About 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane

3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane (PubChem CID 12605483) has the molecular formula C18H24N2P2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane.

Molecular Properties

Compound Name3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane
PubChem CID12605483
Molecular FormulaC18H24N2P2
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane
SMILESCP1CN(c2ccccc2)CP(C)CN(c2ccccc2)C1
InChIInChI=1S/C18H24N2P2/c1-21-13-19(17-9-5-3-6-10-17)15-22(2)16-20(14-21)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyDVTYKRCPKGJEAE-UHFFFAOYSA-N
XLogP5.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.07
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

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CID 101427405
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1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
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1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
ethane;4-methyl-1-phenylpiperidine
CID 143180672
5-phenyl-1,3,5-dioxazinane
CID 57157399
2,2,6,6-tetradeuterio-1-phenylpiperidine
CID 172759317
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
4-methylidene-1-phenylpiperidine
CID 58902724

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane?
The IUPAC name of 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane (CID 12605483) is 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane.
What is the SMILES notation for 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane?
The canonical SMILES for 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane is CP1CN(c2ccccc2)CP(C)CN(c2ccccc2)C1.
What is the InChIKey of 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane?
The InChIKey is DVTYKRCPKGJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2P2/c1-21-13-19(17-9-5-3-6-10-17)15-22(2)16-20(14-21)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane?
3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane has a molecular weight of 330.35 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane is sourced from PubChem (CID 12605483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).