4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide

C25H52N10 — CID 176680172

IUPAC4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide
SMILESCCCCC(CC)C/N=C(N)/N=C(/N)N1CCC(/N=C(\N)N/C(N)=N/CC(CC)CCCC)CC1
InChIInChI=1S/C25H52N10/c1-5-9-11-19(7-3)17-30-22(26)33-24(28)32-21-13-15-35(16-14-21)25(29)34-23(27)31-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3,(H4,27,29,31,34)(H5,26,28,30,32,33)
InChIKeyYYQRRPZQLGIUKR-UHFFFAOYSA-N
MW492.76 g/mol
LogP2.73
Rot. Bonds13

About 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide

4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 176680172) has the molecular formula C25H52N10 and a molecular weight of 492.76 g/mol. Its IUPAC name is 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide
PubChem CID176680172
Molecular FormulaC25H52N10
Molecular Weight492.76 g/mol
Exact Mass492.44
IUPAC Name4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide
SMILESCCCCC(CC)C/N=C(N)/N=C(/N)N1CCC(/N=C(\N)N/C(N)=N/CC(CC)CCCC)CC1
InChIInChI=1S/C25H52N10/c1-5-9-11-19(7-3)17-30-22(26)33-24(28)32-21-13-15-35(16-14-21)25(29)34-23(27)31-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3,(H4,27,29,31,34)(H5,26,28,30,32,33)
InChIKeyYYQRRPZQLGIUKR-UHFFFAOYSA-N
XLogP2.73
TPSA168.79 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.76
LogP ≤ 52.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide 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 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide (CID 176680172) is 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide is CCCCC(CC)C/N=C(N)/N=C(/N)N1CCC(/N=C(\N)N/C(N)=N/CC(CC)CCCC)CC1.
What is the InChIKey of 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is YYQRRPZQLGIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N10/c1-5-9-11-19(7-3)17-30-22(26)33-24(28)32-21-13-15-35(16-14-21)25(29)34-23(27)31-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3,(H4,27,29,31,34)(H5,26,28,30,32,33).
What are the key properties of 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide?
4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 492.76 g/mol, XLogP of 2.73, 13 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 176680172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).