4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate

C11H21N3O3 — CID 159168735

IUPAC4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
SMILESCCN(CC)c1ccc(C=O)c(O)c1.NN.O
InChIInChI=1S/C11H15NO2.H4N2.H2O/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10;1-2;/h5-8,14H,3-4H2,1-2H3;1-2H2;1H2
InChIKeyKLKJNXPNXMTAGI-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.05
Rot. Bonds4

About 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate

4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate (PubChem CID 159168735) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate.

Molecular Properties

Compound Name4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
PubChem CID159168735
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
SMILESCCN(CC)c1ccc(C=O)c(O)c1.NN.O
InChIInChI=1S/C11H15NO2.H4N2.H2O/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10;1-2;/h5-8,14H,3-4H2,1-2H3;1-2H2;1H2
InChIKeyKLKJNXPNXMTAGI-UHFFFAOYSA-N
XLogP0.05
TPSA124.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate 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

4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
CID 88729636
3-[4-(diethylamino)-2-hydroxyphenyl]prop-2-enenitrile
CID 169484508
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde
CID 141008613
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
2-[(E)-[[amino(sulfanyl)methyl]hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 142921630
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4614020
4-(N-butylanilino)-2-hydroxybenzaldehyde
CID 150085877

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate?
The IUPAC name of 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate (CID 159168735) is 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate.
What is the SMILES notation for 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate?
The canonical SMILES for 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate is CCN(CC)c1ccc(C=O)c(O)c1.NN.O.
What is the InChIKey of 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate?
The InChIKey is KLKJNXPNXMTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.H4N2.H2O/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10;1-2;/h5-8,14H,3-4H2,1-2H3;1-2H2;1H2.
What are the key properties of 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate?
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate has a molecular weight of 243.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate is sourced from PubChem (CID 159168735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).