4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide

C17H29IN4O — CID 111070789

IUPAC4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
SMILESCCCCNC(=O)c1ccc(C/N=C(\N)N(CC)CC)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-4-7-12-19-16(22)15-10-8-14(9-11-15)13-20-17(18)21(5-2)6-3;/h8-11H,4-7,12-13H2,1-3H3,(H2,18,20)(H,19,22);1H
InChIKeyYJLMSFYMHCGTTL-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.99
Rot. Bonds8

About 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide

4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide (PubChem CID 111070789) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
PubChem CID111070789
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC Name4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
SMILESCCCCNC(=O)c1ccc(C/N=C(\N)N(CC)CC)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-4-7-12-19-16(22)15-10-8-14(9-11-15)13-20-17(18)21(5-2)6-3;/h8-11H,4-7,12-13H2,1-3H3,(H2,18,20)(H,19,22);1H
InChIKeyYJLMSFYMHCGTTL-UHFFFAOYSA-N
XLogP2.99
TPSA70.72 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 ≤ 52.99
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048573
4-[[[amino(butylamino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070772
4-[[bis(ethylamino)methylideneamino]methyl]-N-butylbenzamide;hydroiodide
CID 110917448
4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070804
4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048357
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
4-[[[amino-(hexylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048575
4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070805
4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040921
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
4-[[[amino-(4-propan-2-yloxyanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070836
N-butyl-4-[[[ethylamino-(3-methylbutylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110977770

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide?
The IUPAC name of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide (CID 111070789) is 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide is CCCCNC(=O)c1ccc(C/N=C(\N)N(CC)CC)cc1.I.
What is the InChIKey of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide?
The InChIKey is YJLMSFYMHCGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-4-7-12-19-16(22)15-10-8-14(9-11-15)13-20-17(18)21(5-2)6-3;/h8-11H,4-7,12-13H2,1-3H3,(H2,18,20)(H,19,22);1H.
What are the key properties of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide?
4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide is sourced from PubChem (CID 111070789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).