N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane

C27H30N3P — CID 145465183

IUPACN-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane
SMILESC=CNC.CCCc1ccc(-c2ccc(-c3cc(C)c4cnc(P)cc4n3)cc2)cc1
InChIInChI=1S/C24H23N2P.C3H7N/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-13-16(2)21-15-25-24(27)14-23(21)26-22;1-3-4-2/h5-15H,3-4,27H2,1-2H3;3-4H,1H2,2H3
InChIKeyLBXVHMTXUYYCNU-UHFFFAOYSA-N
MW427.53 g/mol
LogP6.07
Rot. Bonds5

About N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane

N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane (PubChem CID 145465183) has the molecular formula C27H30N3P and a molecular weight of 427.53 g/mol. Its IUPAC name is N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane.

Molecular Properties

Compound NameN-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane
PubChem CID145465183
Molecular FormulaC27H30N3P
Molecular Weight427.53 g/mol
Exact Mass427.22
IUPAC NameN-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane
SMILESC=CNC.CCCc1ccc(-c2ccc(-c3cc(C)c4cnc(P)cc4n3)cc2)cc1
InChIInChI=1S/C24H23N2P.C3H7N/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-13-16(2)21-15-25-24(27)14-23(21)26-22;1-3-4-2/h5-15H,3-4,27H2,1-2H3;3-4H,1H2,2H3
InChIKeyLBXVHMTXUYYCNU-UHFFFAOYSA-N
XLogP6.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
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-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane?
The IUPAC name of N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane (CID 145465183) is N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane.
What is the SMILES notation for N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane?
The canonical SMILES for N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane is C=CNC.CCCc1ccc(-c2ccc(-c3cc(C)c4cnc(P)cc4n3)cc2)cc1.
What is the InChIKey of N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane?
The InChIKey is LBXVHMTXUYYCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2P.C3H7N/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-13-16(2)21-15-25-24(27)14-23(21)26-22;1-3-4-2/h5-15H,3-4,27H2,1-2H3;3-4H,1H2,2H3.
What are the key properties of N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane?
N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane has a molecular weight of 427.53 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethenamine;[4-methyl-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-7-yl]phosphane is sourced from PubChem (CID 145465183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).