N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine

C25H26NOP — CID 24808217

IUPACN-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine
SMILESO=P(NCC1CCC=C(c2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NOP/c27-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-20-21-11-10-14-23(19-21)22-12-4-1-5-13-22/h1-9,12-18,21H,10-11,19-20H2,(H,26,27)
InChIKeyKBYNLJASEGDDEY-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.39
Rot. Bonds6

About N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine

N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine (PubChem CID 24808217) has the molecular formula C25H26NOP and a molecular weight of 387.46 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine
PubChem CID24808217
Molecular FormulaC25H26NOP
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC NameN-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine
SMILESO=P(NCC1CCC=C(c2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NOP/c27-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-20-21-11-10-14-23(19-21)22-12-4-1-5-13-22/h1-9,12-18,21H,10-11,19-20H2,(H,26,27)
InChIKeyKBYNLJASEGDDEY-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954
(1R)-3-phenylcyclohex-3-en-1-amine
CID 175905363
(5R,6S)-5-diphenylphosphoryl-1,6-diphenylcycloheptene
CID 102091489
(5-methylcyclohexen-1-yl)benzene
CID 56998306
N-diaminophosphoryl-5-[(diphenylphosphorylamino)methyl]-3,3-dimethylcyclohexan-1-amine
CID 22670632
N-[(1R,4Z,7R)-7-chloro-5-phenylcyclooct-4-en-1-yl]benzamide
CID 98513159
1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15185952
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate
CID 98469800
(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
3-[[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-3-en-1-yl]methyl]benzoic acid
CID 21196529

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine (CID 24808217) is N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine is O=P(NCC1CCC=C(c2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine?
The InChIKey is KBYNLJASEGDDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26NOP/c27-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-20-21-11-10-14-23(19-21)22-12-4-1-5-13-22/h1-9,12-18,21H,10-11,19-20H2,(H,26,27).
What are the key properties of N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine?
N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine has a molecular weight of 387.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 24808217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).