methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate

C14H24N4O — CID 123990601

IUPACmethyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate
SMILES[H]/N=C(/Cc1ccnc(N(CC)CCN(C)C)c1)OC
InChIInChI=1S/C14H24N4O/c1-5-18(9-8-17(2)3)14-11-12(6-7-16-14)10-13(15)19-4/h6-7,11,15H,5,8-10H2,1-4H3/b15-13-
InChIKeyYUBAFIMVCLXVKV-SQFISAMPSA-N
MW264.37 g/mol
LogP1.64
Rot. Bonds7

About methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate

methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate (PubChem CID 123990601) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate
PubChem CID123990601
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Namemethyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate
SMILES[H]/N=C(/Cc1ccnc(N(CC)CCN(C)C)c1)OC
InChIInChI=1S/C14H24N4O/c1-5-18(9-8-17(2)3)14-11-12(6-7-16-14)10-13(15)19-4/h6-7,11,15H,5,8-10H2,1-4H3/b15-13-
InChIKeyYUBAFIMVCLXVKV-SQFISAMPSA-N
XLogP1.64
TPSA52.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate?
The IUPAC name of methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate (CID 123990601) is methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate.
What is the SMILES notation for methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate?
The canonical SMILES for methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate is [H]/N=C(/Cc1ccnc(N(CC)CCN(C)C)c1)OC.
What is the InChIKey of methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate?
The InChIKey is YUBAFIMVCLXVKV-SQFISAMPSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-18(9-8-17(2)3)14-11-12(6-7-16-14)10-13(15)19-4/h6-7,11,15H,5,8-10H2,1-4H3/b15-13-.
What are the key properties of methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate?
methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate has a molecular weight of 264.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]ethanimidate is sourced from PubChem (CID 123990601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).