3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide

C13H20ClN3O — CID 55215005

IUPAC3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O/c1-9(8-13(18)16-15)17(3)10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,8,15H2,1-3H3,(H,16,18)
InChIKeyGKHYIKAKBKNCEF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.10
Rot. Bonds5

About 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide

3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide (PubChem CID 55215005) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide
PubChem CID55215005
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O/c1-9(8-13(18)16-15)17(3)10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,8,15H2,1-3H3,(H,16,18)
InChIKeyGKHYIKAKBKNCEF-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63501755
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
CID 79494279
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide (CID 55215005) is 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide is CC(CC(=O)NN)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide?
The InChIKey is GKHYIKAKBKNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(8-13(18)16-15)17(3)10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide?
3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide has a molecular weight of 269.78 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide is sourced from PubChem (CID 55215005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).