2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide

C18H30N4O — CID 111082009

IUPAC2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
SMILESCCCCCCN/C(N)=N/CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C18H30N4O/c1-3-5-6-10-13-20-18(19)21-14-17(23)22(4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H3,19,20,21)
InChIKeyIEKSBGIKVHSFMU-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.52
Rot. Bonds10

About 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide

2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide (PubChem CID 111082009) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
PubChem CID111082009
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
SMILESCCCCCCN/C(N)=N/CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C18H30N4O/c1-3-5-6-10-13-20-18(19)21-14-17(23)22(4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H3,19,20,21)
InChIKeyIEKSBGIKVHSFMU-UHFFFAOYSA-N
XLogP2.52
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide 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

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111158887
2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111081982
N-benzyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-ethylacetamide
CID 111151236
N-[2-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
CID 110030596
2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539178
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
N-benzyl-N-ethyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
CID 111904893

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide (CID 111082009) is 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide is CCCCCCN/C(N)=N/CC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide?
The InChIKey is IEKSBGIKVHSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-5-6-10-13-20-18(19)21-14-17(23)22(4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide?
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide has a molecular weight of 318.46 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 111082009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).