1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine

C26H58N10 — CID 176535172

IUPAC1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCCCCCCCC
InChIInChI=1S/C16H35N5.C10H23N5/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-20-16(19)21-15(17)18;1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h14H,3-13H2,1-2H3,(H6,17,18,19,20,21);8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyQEMSUAXBFFOEOZ-UHFFFAOYSA-N
MW510.82 g/mol
LogP4.34
Rot. Bonds18

About 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine

1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine (PubChem CID 176535172) has the molecular formula C26H58N10 and a molecular weight of 510.82 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine
PubChem CID176535172
Molecular FormulaC26H58N10
Molecular Weight510.82 g/mol
Exact Mass510.48
IUPAC Name1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCCCCCCCC
InChIInChI=1S/C16H35N5.C10H23N5/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-20-16(19)21-15(17)18;1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h14H,3-13H2,1-2H3,(H6,17,18,19,20,21);8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyQEMSUAXBFFOEOZ-UHFFFAOYSA-N
XLogP4.34
TPSA200.56 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.82
LogP ≤ 54.34
H-Bond Donors ≤ 58
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine (CID 176535172) is 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine is [H]/N=C(\N)N/C(N)=N/CC(CC)CCCC.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCCCCCCCC.
What is the InChIKey of 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The InChIKey is QEMSUAXBFFOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5.C10H23N5/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-20-16(19)21-15(17)18;1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h14H,3-13H2,1-2H3,(H6,17,18,19,20,21);8H,3-7H2,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine has a molecular weight of 510.82 g/mol, XLogP of 4.34, 18 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-ethyldodecyl)guanidine;1-carbamimidoyl-2-(2-ethylhexyl)guanidine is sourced from PubChem (CID 176535172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).