N-diphenylphosphanylcyclohexanamine

C18H22NP — CID 15529217

IUPACN-diphenylphosphanylcyclohexanamine
SMILESc1ccc(P(NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H22NP/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKeyXVSLXLRQGRYXJA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About N-diphenylphosphanylcyclohexanamine

N-diphenylphosphanylcyclohexanamine (PubChem CID 15529217) has the molecular formula C18H22NP and a molecular weight of 283.36 g/mol. Its IUPAC name is N-diphenylphosphanylcyclohexanamine.

Molecular Properties

Compound NameN-diphenylphosphanylcyclohexanamine
PubChem CID15529217
Molecular FormulaC18H22NP
Molecular Weight283.36 g/mol
Exact Mass283.15
IUPAC NameN-diphenylphosphanylcyclohexanamine
SMILESc1ccc(P(NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H22NP/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKeyXVSLXLRQGRYXJA-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanylcyclohexanamine?
The IUPAC name of N-diphenylphosphanylcyclohexanamine (CID 15529217) is N-diphenylphosphanylcyclohexanamine.
What is the SMILES notation for N-diphenylphosphanylcyclohexanamine?
The canonical SMILES for N-diphenylphosphanylcyclohexanamine is c1ccc(P(NC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanylcyclohexanamine?
The InChIKey is XVSLXLRQGRYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NP/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16,19H,1,4-5,10-11H2.
What are the key properties of N-diphenylphosphanylcyclohexanamine?
N-diphenylphosphanylcyclohexanamine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanylcyclohexanamine is sourced from PubChem (CID 15529217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).