2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine

C29H57NP2 — CID 155183831

IUPAC2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
SMILESCCCCCCCP(CCNCCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H57NP2/c1-2-3-4-5-15-24-31(27-16-9-6-10-17-27)25-22-30-23-26-32(28-18-11-7-12-19-28)29-20-13-8-14-21-29/h27-30H,2-26H2,1H3
InChIKeyDAYAGIBGRHMLOG-UHFFFAOYSA-N
MW481.73 g/mol
LogP9.51
Rot. Bonds15

About 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine

2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine (PubChem CID 155183831) has the molecular formula C29H57NP2 and a molecular weight of 481.73 g/mol. Its IUPAC name is 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine.

Molecular Properties

Compound Name2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
PubChem CID155183831
Molecular FormulaC29H57NP2
Molecular Weight481.73 g/mol
Exact Mass481.40
IUPAC Name2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
SMILESCCCCCCCP(CCNCCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H57NP2/c1-2-3-4-5-15-24-31(27-16-9-6-10-17-27)25-22-30-23-26-32(28-18-11-7-12-19-28)29-20-13-8-14-21-29/h27-30H,2-26H2,1H3
InChIKeyDAYAGIBGRHMLOG-UHFFFAOYSA-N
XLogP9.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.73
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl(diheptyl)phosphane
CID 118892787
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
cyclohexyl-ethyl-octylphosphane
CID 90109221
chloro(dihydrido)iridium;bis(2-dicyclohexylphosphanyl-N-(2-dicyclohexylphosphanylethyl)ethanamine)
CID 158559176
di(cyclobutyl)-octylphosphane
CID 151646814
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
cyclopentyl(dipropyl)phosphane
CID 14322919
dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-benzyl-2-dicyclohexylphosphanylethanamine
CID 139967235
N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine?
The IUPAC name of 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine (CID 155183831) is 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine.
What is the SMILES notation for 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine?
The canonical SMILES for 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine is CCCCCCCP(CCNCCP(C1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine?
The InChIKey is DAYAGIBGRHMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NP2/c1-2-3-4-5-15-24-31(27-16-9-6-10-17-27)25-22-30-23-26-32(28-18-11-7-12-19-28)29-20-13-8-14-21-29/h27-30H,2-26H2,1H3.
What are the key properties of 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine?
2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine has a molecular weight of 481.73 g/mol, XLogP of 9.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine is sourced from PubChem (CID 155183831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).