N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine

C26H31INP — CID 13480762

IUPACN-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine
SMILESCCN(C1CCCCC1)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31INP/c1-2-28(23-15-7-3-8-16-23)29(27,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h4-6,9-14,17-23H,2-3,7-8,15-16H2,1H3
InChIKeyIOGBTWBSJAZLQF-UHFFFAOYSA-N
MW515.42 g/mol
LogP6.44
Rot. Bonds6

About N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine

N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine (PubChem CID 13480762) has the molecular formula C26H31INP and a molecular weight of 515.42 g/mol. Its IUPAC name is N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine
PubChem CID13480762
Molecular FormulaC26H31INP
Molecular Weight515.42 g/mol
Exact Mass515.12
IUPAC NameN-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine
SMILESCCN(C1CCCCC1)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31INP/c1-2-28(23-15-7-3-8-16-23)29(27,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h4-6,9-14,17-23H,2-3,7-8,15-16H2,1H3
InChIKeyIOGBTWBSJAZLQF-UHFFFAOYSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
N-cyclohexyl-N-ethylbenzenecarboximidamide
CID 63178786
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
N-cyclopentyl-N-ethylbenzenecarboximidamide
CID 63175661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine (CID 13480762) is N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine is CCN(C1CCCCC1)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine?
The InChIKey is IOGBTWBSJAZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31INP/c1-2-28(23-15-7-3-8-16-23)29(27,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h4-6,9-14,17-23H,2-3,7-8,15-16H2,1H3.
What are the key properties of N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine?
N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine has a molecular weight of 515.42 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine is sourced from PubChem (CID 13480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).