potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride

C26H54KN5O2 — CID 175102447

IUPACpotassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride
SMILES[H-].[H]/N=C(\N=C(N)N)N(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[K+]
InChIInChI=1S/C26H53N5O2.K.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(32)33-31(23-21-8-6-4-2)26(29)30-25(27)28;;/h3-23H2,1-2H3,(H5,27,28,29,30);;/q;+1;-1
InChIKeyZJSXBVJXBWBISG-UHFFFAOYSA-N
MW507.85 g/mol
LogP3.91
Rot. Bonds21

About potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride

potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride (PubChem CID 175102447) has the molecular formula C26H54KN5O2 and a molecular weight of 507.85 g/mol. Its IUPAC name is potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride.

Molecular Properties

Compound Namepotassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride
PubChem CID175102447
Molecular FormulaC26H54KN5O2
Molecular Weight507.85 g/mol
Exact Mass507.39
IUPAC Namepotassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride
SMILES[H-].[H]/N=C(\N=C(N)N)N(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[K+]
InChIInChI=1S/C26H53N5O2.K.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(32)33-31(23-21-8-6-4-2)26(29)30-25(27)28;;/h3-23H2,1-2H3,(H5,27,28,29,30);;/q;+1;-1
InChIKeyZJSXBVJXBWBISG-UHFFFAOYSA-N
XLogP3.91
TPSA117.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.85
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride 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

3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
2-[[N-(diaminomethylidene)carbamimidoyl]-(2-octadec-9-enoyloxyethyl)amino]ethyl octadec-9-enoate
CID 54093167
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
[carbamimidoyl(methyl)amino] octadecanoate
CID 141088289
butyl(dodecanoyloxy)carbamic acid
CID 54414484
sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
CID 175434885
dimethylamino pentadecanoate
CID 57147620
sodium;[2-[carbamimidoyl(methyl)amino]acetyl] dodecanoate;hydride
CID 174417342
[bis(1-hydroxyethyl)amino] dodecanoate
CID 57192551
potassium;hydride;methyl octadecanoate
CID 175153010
N-carbamimidoyl-N-carbamoyldodecanamide
CID 154094348
[2-hydroxyethyl(methyl)amino] octanoate
CID 175189868

Frequently Asked Questions

What is the IUPAC name of potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride?
The IUPAC name of potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride (CID 175102447) is potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride.
What is the SMILES notation for potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride?
The canonical SMILES for potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride is [H-].[H]/N=C(\N=C(N)N)N(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[K+].
What is the InChIKey of potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride?
The InChIKey is ZJSXBVJXBWBISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N5O2.K.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(32)33-31(23-21-8-6-4-2)26(29)30-25(27)28;;/h3-23H2,1-2H3,(H5,27,28,29,30);;/q;+1;-1.
What are the key properties of potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride?
potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride has a molecular weight of 507.85 g/mol, XLogP of 3.91, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[[N-(diaminomethylidene)carbamimidoyl]-hexylamino] octadecanoate;hydride is sourced from PubChem (CID 175102447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).