[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride

C16H27ClN4O — CID 54599008

IUPAC[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1.[Cl-]
InChIInChI=1S/C16H26N4O.ClH/c1-6-19(7-2)15-10-8-14(9-11-15)12-17-18-16(21)13-20(3,4)5;/h8-12H,6-7,13H2,1-5H3;1H/b17-12+;
InChIKeySYFFBENZYBSBBH-KCUXUEJTSA-N
MW326.87 g/mol
LogP-1.31
Rot. Bonds7

About [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride

[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride (PubChem CID 54599008) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
PubChem CID54599008
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1.[Cl-]
InChIInChI=1S/C16H26N4O.ClH/c1-6-19(7-2)15-10-8-14(9-11-15)12-17-18-16(21)13-20(3,4)5;/h8-12H,6-7,13H2,1-5H3;1H/b17-12+;
InChIKeySYFFBENZYBSBBH-KCUXUEJTSA-N
XLogP-1.31
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
CID 132568696
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6107639
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971

Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The IUPAC name of [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride (CID 54599008) is [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The canonical SMILES for [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride is CCN(CC)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1.[Cl-].
What is the InChIKey of [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
The InChIKey is SYFFBENZYBSBBH-KCUXUEJTSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-6-19(7-2)15-10-8-14(9-11-15)12-17-18-16(21)13-20(3,4)5;/h8-12H,6-7,13H2,1-5H3;1H/b17-12+;.
What are the key properties of [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride?
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride has a molecular weight of 326.87 g/mol, XLogP of -1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride is sourced from PubChem (CID 54599008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).