N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine

C16H19N2O3P — CID 139068772

IUPACN-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine
SMILESCC1(C)CO[P@@](=O)(Nc2ccccn2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H19N2O3P/c1-16(2)12-20-22(19,18-14-10-6-7-11-17-14)21-15(16)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3,(H,17,18,19)/t15-,22-/m0/s1
InChIKeyCMEKIZOMCTUGKC-NYHFZMIOSA-N
MW318.31 g/mol
LogP4.42
Rot. Bonds3

About N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine

N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine (PubChem CID 139068772) has the molecular formula C16H19N2O3P and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine
PubChem CID139068772
Molecular FormulaC16H19N2O3P
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC NameN-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine
SMILESCC1(C)CO[P@@](=O)(Nc2ccccn2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H19N2O3P/c1-16(2)12-20-22(19,18-14-10-6-7-11-17-14)21-15(16)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3,(H,17,18,19)/t15-,22-/m0/s1
InChIKeyCMEKIZOMCTUGKC-NYHFZMIOSA-N
XLogP4.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine?
The IUPAC name of N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine (CID 139068772) is N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine?
The canonical SMILES for N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine is CC1(C)CO[P@@](=O)(Nc2ccccn2)O[C@H]1c1ccccc1.
What is the InChIKey of N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine?
The InChIKey is CMEKIZOMCTUGKC-NYHFZMIOSA-N. The full InChI is InChI=1S/C16H19N2O3P/c1-16(2)12-20-22(19,18-14-10-6-7-11-17-14)21-15(16)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3,(H,17,18,19)/t15-,22-/m0/s1.
What are the key properties of N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine?
N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine has a molecular weight of 318.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3,2λ5-dioxaphosphinan-2-yl]pyridin-2-amine is sourced from PubChem (CID 139068772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).