N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

C17H29IN4O — CID 111158586

IUPACN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCCN(C)/C(=N/CC(=O)NCc1ccccc1)NCC.I
InChIInChI=1S/C17H28N4O.HI/c1-4-6-12-21(3)17(18-5-2)20-14-16(22)19-13-15-10-8-7-9-11-15;/h7-11H,4-6,12-14H2,1-3H3,(H,18,20)(H,19,22);1H
InChIKeyILWPFUVLQLFPEQ-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.62
Rot. Bonds8

About N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111158586) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111158586
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC NameN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCCN(C)/C(=N/CC(=O)NCc1ccccc1)NCC.I
InChIInChI=1S/C17H28N4O.HI/c1-4-6-12-21(3)17(18-5-2)20-14-16(22)19-13-15-10-8-7-9-11-15;/h7-11H,4-6,12-14H2,1-3H3,(H,18,20)(H,19,22);1H
InChIKeyILWPFUVLQLFPEQ-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111159958
N-benzyl-2-[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]acetamide
CID 111273935
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111158887
N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 111158585
2-[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110950631
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
3-benzyl-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111157994
N-benzyl-2-[[ethylamino-[methyl-[(4-methylsulfanylphenyl)methyl]amino]methylidene]amino]acetamide
CID 111299261
N-benzyl-2-[[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-(ethylamino)methylidene]amino]acetamide
CID 111241599
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 111158338
3-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111158189
1-butyl-2-[(3-cyanophenyl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111160353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (CID 111158586) is N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is CCCCN(C)/C(=N/CC(=O)NCc1ccccc1)NCC.I.
What is the InChIKey of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is ILWPFUVLQLFPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-4-6-12-21(3)17(18-5-2)20-14-16(22)19-13-15-10-8-7-9-11-15;/h7-11H,4-6,12-14H2,1-3H3,(H,18,20)(H,19,22);1H.
What are the key properties of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111158586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).