N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine

C24H39N2OP — CID 25265844

IUPACN-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine
SMILESCC1CN(P(c2ccccc2)N(C2CCCCC2)C2CCCCC2)CC(C)O1
InChIInChI=1S/C24H39N2OP/c1-20-18-25(19-21(2)27-20)28(24-16-10-5-11-17-24)26(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h5,10-11,16-17,20-23H,3-4,6-9,12-15,18-19H2,1-2H3
InChIKeyOTBRGZYWWZSOLY-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.70
Rot. Bonds5

About N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine

N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine (PubChem CID 25265844) has the molecular formula C24H39N2OP and a molecular weight of 402.56 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine
PubChem CID25265844
Molecular FormulaC24H39N2OP
Molecular Weight402.56 g/mol
Exact Mass402.28
IUPAC NameN-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine
SMILESCC1CN(P(c2ccccc2)N(C2CCCCC2)C2CCCCC2)CC(C)O1
InChIInChI=1S/C24H39N2OP/c1-20-18-25(19-21(2)27-20)28(24-16-10-5-11-17-24)26(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h5,10-11,16-17,20-23H,3-4,6-9,12-15,18-19H2,1-2H3
InChIKeyOTBRGZYWWZSOLY-UHFFFAOYSA-N
XLogP5.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine (CID 25265844) is N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine is CC1CN(P(c2ccccc2)N(C2CCCCC2)C2CCCCC2)CC(C)O1.
What is the InChIKey of N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine?
The InChIKey is OTBRGZYWWZSOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N2OP/c1-20-18-25(19-21(2)27-20)28(24-16-10-5-11-17-24)26(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h5,10-11,16-17,20-23H,3-4,6-9,12-15,18-19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine?
N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine has a molecular weight of 402.56 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2,6-dimethylmorpholin-4-yl)-phenylphosphanyl]cyclohexanamine is sourced from PubChem (CID 25265844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).