4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride

C9H18ClN3O — CID 174897153

IUPAC4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride
SMILESCCN=C=NC(C)(C)CCC(N)=O.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-4-11-7-12-9(2,3)6-5-8(10)13;/h4-6H2,1-3H3,(H2,10,13);1H
InChIKeyLBHAKZBLXQEWTJ-UHFFFAOYSA-N
MW219.72 g/mol
LogP1.65
Rot. Bonds5

About 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride

4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride (PubChem CID 174897153) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride
PubChem CID174897153
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride
SMILESCCN=C=NC(C)(C)CCC(N)=O.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-4-11-7-12-9(2,3)6-5-8(10)13;/h4-6H2,1-3H3,(H2,10,13);1H
InChIKeyLBHAKZBLXQEWTJ-UHFFFAOYSA-N
XLogP1.65
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride 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

4,4-dimethylpentanamide;hydrochloride
CID 141202343
N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
CID 175438196
4-methyl-4-propylheptanamide
CID 90273698
4-amino-4-methyl-5-oxopentanamide
CID 20716475
3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
CID 88743416
2,2-dipropylpentanediamide;hydrochloride
CID 174451437
4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
CID 177255664
2,2,3,3-tetramethylhexanediamide
CID 19832795
butanediamide;molybdenum
CID 161333962
4-methyl-4-pentyldecanamide
CID 155082374
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
CID 167208165
butanamide
CID 141414886

Frequently Asked Questions

What is the IUPAC name of 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride?
The IUPAC name of 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride (CID 174897153) is 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride?
The canonical SMILES for 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride is CCN=C=NC(C)(C)CCC(N)=O.Cl.
What is the InChIKey of 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride?
The InChIKey is LBHAKZBLXQEWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-4-11-7-12-9(2,3)6-5-8(10)13;/h4-6H2,1-3H3,(H2,10,13);1H.
What are the key properties of 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride?
4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 174897153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).