1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride

C26H57ClN10 — CID 90672029

IUPAC1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCCCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC.Cl
InChIInChI=1S/C26H56N10.ClH/c1-3-5-7-15-19-31-23(27)35-25(29)33-21-17-13-11-9-10-12-14-18-22-34-26(30)36-24(28)32-20-16-8-6-4-2;/h3-22H2,1-2H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);1H
InChIKeyDMXFVLRHPPLVMF-UHFFFAOYSA-N
MW545.27 g/mol
LogP4.13
Rot. Bonds21

About 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride

1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride (PubChem CID 90672029) has the molecular formula C26H57ClN10 and a molecular weight of 545.27 g/mol. Its IUPAC name is 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride.

Molecular Properties

Compound Name1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
PubChem CID90672029
Molecular FormulaC26H57ClN10
Molecular Weight545.27 g/mol
Exact Mass544.45
IUPAC Name1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCCCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC.Cl
InChIInChI=1S/C26H56N10.ClH/c1-3-5-7-15-19-31-23(27)35-25(29)33-21-17-13-11-9-10-12-14-18-22-34-26(30)36-24(28)32-20-16-8-6-4-2;/h3-22H2,1-2H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);1H
InChIKeyDMXFVLRHPPLVMF-UHFFFAOYSA-N
XLogP4.13
TPSA177.58 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.27
LogP ≤ 54.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride?
The IUPAC name of 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride (CID 90672029) is 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride.
What is the SMILES notation for 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride?
The canonical SMILES for 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride is CCCCCC/N=C(\N)N/C(N)=N/CCCCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC.Cl.
What is the InChIKey of 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride?
The InChIKey is DMXFVLRHPPLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N10.ClH/c1-3-5-7-15-19-31-23(27)35-25(29)33-21-17-13-11-9-10-12-14-18-22-34-26(30)36-24(28)32-20-16-8-6-4-2;/h3-22H2,1-2H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);1H.
What are the key properties of 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride?
1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride has a molecular weight of 545.27 g/mol, XLogP of 4.13, 21 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride is sourced from PubChem (CID 90672029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).