N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide

C14H21N5O — CID 149462271

IUPACN-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide
SMILES[H]/N=C/C=NNc1ccc(C)cc1C(=O)NC(C)CCN
InChIInChI=1S/C14H21N5O/c1-10-3-4-13(19-17-8-7-16)12(9-10)14(20)18-11(2)5-6-15/h3-4,7-9,11,16,19H,5-6,15H2,1-2H3,(H,18,20)/b16-7+,17-8?
InChIKeyYZSYABYIBLCFLU-UZFDIJBFSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds7

About N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide

N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide (PubChem CID 149462271) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide
PubChem CID149462271
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide
SMILES[H]/N=C/C=NNc1ccc(C)cc1C(=O)NC(C)CCN
InChIInChI=1S/C14H21N5O/c1-10-3-4-13(19-17-8-7-16)12(9-10)14(20)18-11(2)5-6-15/h3-4,7-9,11,16,19H,5-6,15H2,1-2H3,(H,18,20)/b16-7+,17-8?
InChIKeyYZSYABYIBLCFLU-UZFDIJBFSA-N
XLogP1.51
TPSA103.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide (CID 149462271) is N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide is [H]/N=C/C=NNc1ccc(C)cc1C(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide?
The InChIKey is YZSYABYIBLCFLU-UZFDIJBFSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-3-4-13(19-17-8-7-16)12(9-10)14(20)18-11(2)5-6-15/h3-4,7-9,11,16,19H,5-6,15H2,1-2H3,(H,18,20)/b16-7+,17-8?.
What are the key properties of N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide?
N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide has a molecular weight of 275.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-[2-(2-iminoethylidene)hydrazinyl]-5-methylbenzamide is sourced from PubChem (CID 149462271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).