(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide

C17H25N5O — CID 172976307

IUPAC(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C17H25N5O/c1-2-3-4-5-6-7-12-23-15-10-8-14(9-11-15)21-22-16(13-18)17(19)20/h8-11,21H,2-7,12H2,1H3,(H3,19,20)/b22-16+
InChIKeyQLJNTZLCIYEBDB-CJLVFECKSA-N
MW315.42 g/mol
LogP3.65
Rot. Bonds11

About (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide (PubChem CID 172976307) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide
PubChem CID172976307
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C17H25N5O/c1-2-3-4-5-6-7-12-23-15-10-8-14(9-11-15)21-22-16(13-18)17(19)20/h8-11,21H,2-7,12H2,1H3,(H3,19,20)/b22-16+
InChIKeyQLJNTZLCIYEBDB-CJLVFECKSA-N
XLogP3.65
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337835
(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide
CID 172978269
2-[4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenoxy]benzoic acid
CID 172977341
(1Z)-2-amino-2-imino-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]ethanimidoyl cyanide
CID 172931760
4-octoxybenzenecarboximidamide
CID 3302492
(1Z)-2-amino-N-(3-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256
2-(4-octoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168606751
(1Z)-2-amino-N-[4-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172977730
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)carbamoyl]anilino]ethanimidoyl cyanide
CID 172976313
(1Z)-2-amino-2-imino-N-(2-propylsulfanylanilino)ethanimidoyl cyanide
CID 172977189
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
(1Z)-2-amino-2-imino-N-[(2-methyl-4-oxo-1H-quinolin-6-yl)amino]ethanimidoyl cyanide
CID 172979925

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide (CID 172976307) is (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(OCCCCCCCC)cc1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide?
The InChIKey is QLJNTZLCIYEBDB-CJLVFECKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-3-4-5-6-7-12-23-15-10-8-14(9-11-15)21-22-16(13-18)17(19)20/h8-11,21H,2-7,12H2,1H3,(H3,19,20)/b22-16+.
What are the key properties of (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide has a molecular weight of 315.42 g/mol, XLogP of 3.65, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-(4-octoxyanilino)ethanimidoyl cyanide is sourced from PubChem (CID 172976307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).