4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide

C14H23IN4O — CID 111048357

IUPAC4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
SMILESCCCCN/C(N)=N/Cc1ccc(C(=O)NC)cc1.I
InChIInChI=1S/C14H22N4O.HI/c1-3-4-9-17-14(15)18-10-11-5-7-12(8-6-11)13(19)16-2;/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyRZIUPJMDZFFUJD-UHFFFAOYSA-N
MW390.27 g/mol
LogP1.87
Rot. Bonds6

About 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide

4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide (PubChem CID 111048357) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
PubChem CID111048357
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC Name4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
SMILESCCCCN/C(N)=N/Cc1ccc(C(=O)NC)cc1.I
InChIInChI=1S/C14H22N4O.HI/c1-3-4-9-17-14(15)18-10-11-5-7-12(8-6-11)13(19)16-2;/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyRZIUPJMDZFFUJD-UHFFFAOYSA-N
XLogP1.87
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
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(propylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048363
4-[[[amino(butylamino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070772
4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040921
4-[[[amino-(hexylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048575
4-[[[amino-(2-methylprop-2-enylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048439
4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070804
4-[[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070801
4-[[[amino(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070789
1-butyl-2-[[4-(dimethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111033123
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813
4-[[bis(ethylamino)methylideneamino]methyl]-N-butylbenzamide;hydroiodide
CID 110917448
1-butyl-2-[(4-methylsulfinylphenyl)methyl]guanidine
CID 111859665

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The IUPAC name of 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide (CID 111048357) is 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide is CCCCN/C(N)=N/Cc1ccc(C(=O)NC)cc1.I.
What is the InChIKey of 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The InChIKey is RZIUPJMDZFFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-3-4-9-17-14(15)18-10-11-5-7-12(8-6-11)13(19)16-2;/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H.
What are the key properties of 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide is sourced from PubChem (CID 111048357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).