N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C15H22BN2O2P — CID 174146034

IUPACN,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESC=Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1N(P)C=C
InChIInChI=1S/C15H22BN2O2P/c1-7-11-12(9-10-17-13(11)18(21)8-2)16-19-14(3,4)15(5,6)20-16/h7-10H,1-2,21H2,3-6H3
InChIKeyASECJPXUJUXIIW-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.76
Rot. Bonds4

About N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 174146034) has the molecular formula C15H22BN2O2P and a molecular weight of 304.14 g/mol. Its IUPAC name is N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID174146034
Molecular FormulaC15H22BN2O2P
Molecular Weight304.14 g/mol
Exact Mass304.15
IUPAC NameN,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESC=Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1N(P)C=C
InChIInChI=1S/C15H22BN2O2P/c1-7-11-12(9-10-17-13(11)18(21)8-2)16-19-14(3,4)15(5,6)20-16/h7-10H,1-2,21H2,3-6H3
InChIKeyASECJPXUJUXIIW-UHFFFAOYSA-N
XLogP2.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 174146034) is N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is C=Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1N(P)C=C.
What is the InChIKey of N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is ASECJPXUJUXIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN2O2P/c1-7-11-12(9-10-17-13(11)18(21)8-2)16-19-14(3,4)15(5,6)20-16/h7-10H,1-2,21H2,3-6H3.
What are the key properties of N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 304.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(ethenyl)-N-phosphanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 174146034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).