propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide

C16H26N3- — CID 177442783

IUPACpropan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide
SMILES[2H]C([2H])([2H])/C([N-]C(C)C)=C1\C=CC=C(/C(=N/C(C)C)C([2H])([2H])[2H])N1C
InChIInChI=1S/C16H26N3/c1-11(2)17-13(5)15-9-8-10-16(19(15)7)14(6)18-12(3)4/h8-12H,1-7H3/q-1/b15-13-,18-14+/i5D3,6D3
InChIKeyLUDDWFMIKCAKON-XKTQSKDVSA-N
MW266.44 g/mol
LogP4.25
Rot. Bonds6

About propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide

propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide (PubChem CID 177442783) has the molecular formula C16H26N3- and a molecular weight of 266.44 g/mol. Its IUPAC name is propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide.

Molecular Properties

Compound Namepropan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide
PubChem CID177442783
Molecular FormulaC16H26N3-
Molecular Weight266.44 g/mol
Exact Mass266.25
IUPAC Namepropan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide
SMILES[2H]C([2H])([2H])/C([N-]C(C)C)=C1\C=CC=C(/C(=N/C(C)C)C([2H])([2H])[2H])N1C
InChIInChI=1S/C16H26N3/c1-11(2)17-13(5)15-9-8-10-16(19(15)7)14(6)18-12(3)4/h8-12H,1-7H3/q-1/b15-13-,18-14+/i5D3,6D3
InChIKeyLUDDWFMIKCAKON-XKTQSKDVSA-N
XLogP4.25
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide?
The IUPAC name of propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide (CID 177442783) is propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide.
What is the SMILES notation for propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide?
The canonical SMILES for propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide is [2H]C([2H])([2H])/C([N-]C(C)C)=C1\C=CC=C(/C(=N/C(C)C)C([2H])([2H])[2H])N1C.
What is the InChIKey of propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide?
The InChIKey is LUDDWFMIKCAKON-XKTQSKDVSA-N. The full InChI is InChI=1S/C16H26N3/c1-11(2)17-13(5)15-9-8-10-16(19(15)7)14(6)18-12(3)4/h8-12H,1-7H3/q-1/b15-13-,18-14+/i5D3,6D3.
What are the key properties of propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide?
propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide has a molecular weight of 266.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide is sourced from PubChem (CID 177442783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).