2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine

C23H47NO2P2S — CID 118584975

IUPAC2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine
SMILESCCP(=O)(CCN(CCSC)CCP(=O)(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H47NO2P2S/c1-4-27(25,22-12-8-6-9-13-22)19-16-24(18-21-29-3)17-20-28(26,5-2)23-14-10-7-11-15-23/h22-23H,4-21H2,1-3H3
InChIKeyIZKDNHJPTADUCM-UHFFFAOYSA-N
MW463.65 g/mol
LogP7.08
Rot. Bonds13

About 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine

2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 118584975) has the molecular formula C23H47NO2P2S and a molecular weight of 463.65 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine
PubChem CID118584975
Molecular FormulaC23H47NO2P2S
Molecular Weight463.65 g/mol
Exact Mass463.28
IUPAC Name2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine
SMILESCCP(=O)(CCN(CCSC)CCP(=O)(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H47NO2P2S/c1-4-27(25,22-12-8-6-9-13-22)19-16-24(18-21-29-3)17-20-28(26,5-2)23-14-10-7-11-15-23/h22-23H,4-21H2,1-3H3
InChIKeyIZKDNHJPTADUCM-UHFFFAOYSA-N
XLogP7.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dicyclohexylphosphoryl-N-(2-dicyclohexylphosphorylethyl)-N-(2-methylsulfanylethyl)ethanamine
CID 118585052
2-[cyclohexyl(methyl)phosphoryl]-N-[2-[cyclohexyl(methyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine
CID 118584917
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66729730
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 112659001
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine (CID 118584975) is 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine is CCP(=O)(CCN(CCSC)CCP(=O)(CC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is IZKDNHJPTADUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2P2S/c1-4-27(25,22-12-8-6-9-13-22)19-16-24(18-21-29-3)17-20-28(26,5-2)23-14-10-7-11-15-23/h22-23H,4-21H2,1-3H3.
What are the key properties of 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine?
2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 463.65 g/mol, XLogP of 7.08, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)phosphoryl]-N-[2-[cyclohexyl(ethyl)phosphoryl]ethyl]-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 118584975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).