dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium

C32H57NP+ — CID 22750561

IUPACdicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium
SMILESCCCCCCCCCCC(NC(C)c1ccccc1)[P+](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H57NP/c1-4-5-6-7-8-9-10-20-27-32(33-28(2)29-21-14-11-15-22-29)34(3,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11,14-15,21-22,28,30-33H,4-10,12-13,16-20,23-27H2,1-3H3/q+1
InChIKeyXOEPNCBANPIRRQ-UHFFFAOYSA-N
MW486.79 g/mol
LogP10.51
Rot. Bonds15

About dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium

dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium (PubChem CID 22750561) has the molecular formula C32H57NP+ and a molecular weight of 486.79 g/mol. Its IUPAC name is dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium.

Molecular Properties

Compound Namedicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium
PubChem CID22750561
Molecular FormulaC32H57NP+
Molecular Weight486.79 g/mol
Exact Mass486.42
IUPAC Namedicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium
SMILESCCCCCCCCCCC(NC(C)c1ccccc1)[P+](C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H57NP/c1-4-5-6-7-8-9-10-20-27-32(33-28(2)29-21-14-11-15-22-29)34(3,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11,14-15,21-22,28,30-33H,4-10,12-13,16-20,23-27H2,1-3H3/q+1
InChIKeyXOEPNCBANPIRRQ-UHFFFAOYSA-N
XLogP10.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 510.51
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'}

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Related Compounds

(2S,3S,4R)-2-[[(1R)-1-phenylethyl]amino]octadecane-1,3,4-triol
CID 15984856
N-(1-phenylethyl)hexan-2-amine
CID 43755937
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
CID 166445594
CID 166445594
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium?
The IUPAC name of dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium (CID 22750561) is dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium.
What is the SMILES notation for dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium?
The canonical SMILES for dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium is CCCCCCCCCCC(NC(C)c1ccccc1)[P+](C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium?
The InChIKey is XOEPNCBANPIRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57NP/c1-4-5-6-7-8-9-10-20-27-32(33-28(2)29-21-14-11-15-22-29)34(3,30-23-16-12-17-24-30)31-25-18-13-19-26-31/h11,14-15,21-22,28,30-33H,4-10,12-13,16-20,23-27H2,1-3H3/q+1.
What are the key properties of dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium?
dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium has a molecular weight of 486.79 g/mol, XLogP of 10.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium is sourced from PubChem (CID 22750561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).