2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride

C16H37Cl2N2P — CID 155665551

IUPAC2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride
SMILESC[N+](C)(C)CCP(CC[N+](C)(C)C)C1CCCCC1.[Cl-].[Cl-]
InChIInChI=1S/C16H37N2P.2ClH/c1-17(2,3)12-14-19(15-13-18(4,5)6)16-10-8-7-9-11-16;;/h16H,7-15H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyMCBDPGBWSCWHIK-UHFFFAOYSA-L
MW359.37 g/mol
LogP-2.78
Rot. Bonds7

About 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride

2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride (PubChem CID 155665551) has the molecular formula C16H37Cl2N2P and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride
PubChem CID155665551
Molecular FormulaC16H37Cl2N2P
Molecular Weight359.37 g/mol
Exact Mass358.21
IUPAC Name2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride
SMILESC[N+](C)(C)CCP(CC[N+](C)(C)C)C1CCCCC1.[Cl-].[Cl-]
InChIInChI=1S/C16H37N2P.2ClH/c1-17(2,3)12-14-19(15-13-18(4,5)6)16-10-8-7-9-11-16;;/h16H,7-15H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyMCBDPGBWSCWHIK-UHFFFAOYSA-L
XLogP-2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride?
The IUPAC name of 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride (CID 155665551) is 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride.
What is the SMILES notation for 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride?
The canonical SMILES for 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride is C[N+](C)(C)CCP(CC[N+](C)(C)C)C1CCCCC1.[Cl-].[Cl-].
What is the InChIKey of 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride?
The InChIKey is MCBDPGBWSCWHIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H37N2P.2ClH/c1-17(2,3)12-14-19(15-13-18(4,5)6)16-10-8-7-9-11-16;;/h16H,7-15H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride?
2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride has a molecular weight of 359.37 g/mol, XLogP of -2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride is sourced from PubChem (CID 155665551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).