2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide

C14H17N5O2 — CID 6614545

IUPAC2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(/C(C#N)=NNc1ccccc1OC)N1CCOCC1
InChIInChI=1S/C14H17N5O2/c1-20-13-5-3-2-4-11(13)17-18-12(10-15)14(16)19-6-8-21-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-12?
InChIKeyOIVUGUIEOZIIPO-LSZKKDISSA-N
MW287.32 g/mol
LogP1.30
Rot. Bonds4

About 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide

2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide (PubChem CID 6614545) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide.

Molecular Properties

Compound Name2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide
PubChem CID6614545
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(/C(C#N)=NNc1ccccc1OC)N1CCOCC1
InChIInChI=1S/C14H17N5O2/c1-20-13-5-3-2-4-11(13)17-18-12(10-15)14(16)19-6-8-21-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-12?
InChIKeyOIVUGUIEOZIIPO-LSZKKDISSA-N
XLogP1.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
CID 6822999
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethoxy)anilino]ethanimidoyl cyanide
CID 172979089
(1Z)-2-(azepan-1-yl)-2-imino-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6399458
(1Z)-2-amino-2-imino-N-(2-morpholin-4-ylanilino)ethanimidoyl cyanide
CID 172976073
2-(azepan-1-yl)-2-imino-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6614543
(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide
CID 7179977
(1Z)-2-amino-N-[4-(dimethylamino)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172977383
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-2-imino-N-(2-methoxy-5-phenylanilino)ethanimidoyl cyanide
CID 172932129
(1Z)-2-amino-N-(2-cyano-6-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977399
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
CID 12526358
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976716

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The IUPAC name of 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide (CID 6614545) is 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide.
What is the SMILES notation for 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The canonical SMILES for 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide is [H]/N=C(/C(C#N)=NNc1ccccc1OC)N1CCOCC1.
What is the InChIKey of 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The InChIKey is OIVUGUIEOZIIPO-LSZKKDISSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-20-13-5-3-2-4-11(13)17-18-12(10-15)14(16)19-6-8-21-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-12?.
What are the key properties of 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide?
2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide has a molecular weight of 287.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide is sourced from PubChem (CID 6614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).