1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine

C24H52N10 — CID 21436565

IUPAC1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine
SMILESCC(C)CCC(C)/N=C(\N)N/C(N)=N/CCCCCC/N=C(\N)N/C(N)=N/C(C)CCC(C)C
InChIInChI=1S/C24H52N10/c1-17(2)11-13-19(5)31-23(27)33-21(25)29-15-9-7-8-10-16-30-22(26)34-24(28)32-20(6)14-12-18(3)4/h17-20H,7-16H2,1-6H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
InChIKeyGNUHTDOIDFQDHR-UHFFFAOYSA-N
MW480.75 g/mol
LogP2.63
Rot. Bonds15

About 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine

1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine (PubChem CID 21436565) has the molecular formula C24H52N10 and a molecular weight of 480.75 g/mol. Its IUPAC name is 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine.

Molecular Properties

Compound Name1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine
PubChem CID21436565
Molecular FormulaC24H52N10
Molecular Weight480.75 g/mol
Exact Mass480.44
IUPAC Name1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine
SMILESCC(C)CCC(C)/N=C(\N)N/C(N)=N/CCCCCC/N=C(\N)N/C(N)=N/C(C)CCC(C)C
InChIInChI=1S/C24H52N10/c1-17(2)11-13-19(5)31-23(27)33-21(25)29-15-9-7-8-10-16-30-22(26)34-24(28)32-20(6)14-12-18(3)4/h17-20H,7-16H2,1-6H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
InChIKeyGNUHTDOIDFQDHR-UHFFFAOYSA-N
XLogP2.63
TPSA177.58 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 52.63
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'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine?
The IUPAC name of 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine (CID 21436565) is 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine.
What is the SMILES notation for 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine?
The canonical SMILES for 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine is CC(C)CCC(C)/N=C(\N)N/C(N)=N/CCCCCC/N=C(\N)N/C(N)=N/C(C)CCC(C)C.
What is the InChIKey of 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine?
The InChIKey is GNUHTDOIDFQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N10/c1-17(2)11-13-19(5)31-23(27)33-21(25)29-15-9-7-8-10-16-30-22(26)34-24(28)32-20(6)14-12-18(3)4/h17-20H,7-16H2,1-6H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34).
What are the key properties of 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine?
1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine has a molecular weight of 480.75 g/mol, XLogP of 2.63, 15 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[6-[[amino-[[N'-(5-methylhexan-2-yl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(5-methylhexan-2-yl)guanidine is sourced from PubChem (CID 21436565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).