N,N-diethyl-4-(hydrazinylmethyl)aniline

C11H19N3 — CID 22728070

IUPACN,N-diethyl-4-(hydrazinylmethyl)aniline
SMILESCCN(CC)c1ccc(CNN)cc1
InChIInChI=1S/C11H19N3/c1-3-14(4-2)11-7-5-10(6-8-11)9-13-12/h5-8,13H,3-4,9,12H2,1-2H3
InChIKeyYYWRMUCIUIMOGD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.50
Rot. Bonds5

About N,N-diethyl-4-(hydrazinylmethyl)aniline

N,N-diethyl-4-(hydrazinylmethyl)aniline (PubChem CID 22728070) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-diethyl-4-(hydrazinylmethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(hydrazinylmethyl)aniline
PubChem CID22728070
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,N-diethyl-4-(hydrazinylmethyl)aniline
SMILESCCN(CC)c1ccc(CNN)cc1
InChIInChI=1S/C11H19N3/c1-3-14(4-2)11-7-5-10(6-8-11)9-13-12/h5-8,13H,3-4,9,12H2,1-2H3
InChIKeyYYWRMUCIUIMOGD-UHFFFAOYSA-N
XLogP1.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(hydrazinylmethyl)aniline?
The IUPAC name of N,N-diethyl-4-(hydrazinylmethyl)aniline (CID 22728070) is N,N-diethyl-4-(hydrazinylmethyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(hydrazinylmethyl)aniline?
The canonical SMILES for N,N-diethyl-4-(hydrazinylmethyl)aniline is CCN(CC)c1ccc(CNN)cc1.
What is the InChIKey of N,N-diethyl-4-(hydrazinylmethyl)aniline?
The InChIKey is YYWRMUCIUIMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14(4-2)11-7-5-10(6-8-11)9-13-12/h5-8,13H,3-4,9,12H2,1-2H3.
What are the key properties of N,N-diethyl-4-(hydrazinylmethyl)aniline?
N,N-diethyl-4-(hydrazinylmethyl)aniline has a molecular weight of 193.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(hydrazinylmethyl)aniline is sourced from PubChem (CID 22728070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).