N-benzyl-1-diphenylphosphorylcyclohexan-1-amine

C25H28NOP — CID 134849791

IUPACN-benzyl-1-diphenylphosphorylcyclohexan-1-amine
SMILESO=P(c1ccccc1)(c1ccccc1)C1(NCc2ccccc2)CCCCC1
InChIInChI=1S/C25H28NOP/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25(19-11-4-12-20-25)26-21-22-13-5-1-6-14-22/h1-3,5-10,13-18,26H,4,11-12,19-21H2
InChIKeyWVXMNTZQBYCHGN-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.45
Rot. Bonds6

About N-benzyl-1-diphenylphosphorylcyclohexan-1-amine

N-benzyl-1-diphenylphosphorylcyclohexan-1-amine (PubChem CID 134849791) has the molecular formula C25H28NOP and a molecular weight of 389.48 g/mol. Its IUPAC name is N-benzyl-1-diphenylphosphorylcyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-diphenylphosphorylcyclohexan-1-amine
PubChem CID134849791
Molecular FormulaC25H28NOP
Molecular Weight389.48 g/mol
Exact Mass389.19
IUPAC NameN-benzyl-1-diphenylphosphorylcyclohexan-1-amine
SMILESO=P(c1ccccc1)(c1ccccc1)C1(NCc2ccccc2)CCCCC1
InChIInChI=1S/C25H28NOP/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25(19-11-4-12-20-25)26-21-22-13-5-1-6-14-22/h1-3,5-10,13-18,26H,4,11-12,19-21H2
InChIKeyWVXMNTZQBYCHGN-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
N-benzyl-1-(1,1-dioxothiolan-2-yl)cyclohexan-1-amine
CID 58814850
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
CID 11243123
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diphenylphosphorylcyclohexan-1-amine?
The IUPAC name of N-benzyl-1-diphenylphosphorylcyclohexan-1-amine (CID 134849791) is N-benzyl-1-diphenylphosphorylcyclohexan-1-amine.
What is the SMILES notation for N-benzyl-1-diphenylphosphorylcyclohexan-1-amine?
The canonical SMILES for N-benzyl-1-diphenylphosphorylcyclohexan-1-amine is O=P(c1ccccc1)(c1ccccc1)C1(NCc2ccccc2)CCCCC1.
What is the InChIKey of N-benzyl-1-diphenylphosphorylcyclohexan-1-amine?
The InChIKey is WVXMNTZQBYCHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NOP/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25(19-11-4-12-20-25)26-21-22-13-5-1-6-14-22/h1-3,5-10,13-18,26H,4,11-12,19-21H2.
What are the key properties of N-benzyl-1-diphenylphosphorylcyclohexan-1-amine?
N-benzyl-1-diphenylphosphorylcyclohexan-1-amine has a molecular weight of 389.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diphenylphosphorylcyclohexan-1-amine is sourced from PubChem (CID 134849791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).