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

C14H22N3- — CID 177485099

IUPACethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide
SMILES[2H]C([2H])([2H])/C([N-]CC)=C1\C=CC=C(/C(=N/CC)C([2H])([2H])[2H])N1C
InChIInChI=1S/C14H22N3/c1-6-15-11(3)13-9-8-10-14(17(13)5)12(4)16-7-2/h8-10H,6-7H2,1-5H3/q-1/b13-11-,16-12+/i3D3,4D3
InChIKeySMCHDORHCJIXCK-AQCTWVBSSA-N
MW238.39 g/mol
LogP3.48
Rot. Bonds6

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

ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide (PubChem CID 177485099) has the molecular formula C14H22N3- and a molecular weight of 238.39 g/mol. Its IUPAC name is ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide.

Molecular Properties

Compound Nameethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide
PubChem CID177485099
Molecular FormulaC14H22N3-
Molecular Weight238.39 g/mol
Exact Mass238.22
IUPAC Nameethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide
SMILES[2H]C([2H])([2H])/C([N-]CC)=C1\C=CC=C(/C(=N/CC)C([2H])([2H])[2H])N1C
InChIInChI=1S/C14H22N3/c1-6-15-11(3)13-9-8-10-14(17(13)5)12(4)16-7-2/h8-10H,6-7H2,1-5H3/q-1/b13-11-,16-12+/i3D3,4D3
InChIKeySMCHDORHCJIXCK-AQCTWVBSSA-N
XLogP3.48
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.39
LogP ≤ 53.48
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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4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 19014007
4-diazo-N-methyl-N-prop-2-enylcyclohexa-1,5-dien-1-amine
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4-diazo-N-ethyl-N-methylcyclohexa-1,5-dien-1-amine
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CID 53400736
N,N-dibutyl-4-diazocyclohexa-1,5-dien-1-amine
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CID 57045078
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide?
The IUPAC name of ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide (CID 177485099) is ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide.
What is the SMILES notation for ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide?
The canonical SMILES for ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide is [2H]C([2H])([2H])/C([N-]CC)=C1\C=CC=C(/C(=N/CC)C([2H])([2H])[2H])N1C.
What is the InChIKey of ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide?
The InChIKey is SMCHDORHCJIXCK-AQCTWVBSSA-N. The full InChI is InChI=1S/C14H22N3/c1-6-15-11(3)13-9-8-10-14(17(13)5)12(4)16-7-2/h8-10H,6-7H2,1-5H3/q-1/b13-11-,16-12+/i3D3,4D3.
What are the key properties of ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide?
ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide has a molecular weight of 238.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide is sourced from PubChem (CID 177485099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).