1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid

C11H26ClN5O4 — CID 71530090

IUPAC1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
SMILESCCC/N=C(\N)N/C(=N/C(C)C)NC(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H25N5.ClHO4/c1-6-7-13-10(12)16-11(14-8(2)3)15-9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3,(H4,12,13,14,15,16);(H,2,3,4,5)
InChIKeyIGUHQWHFHIGOLO-UHFFFAOYSA-N
MW327.81 g/mol
LogP-3.06
Rot. Bonds4

About 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid

1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid (PubChem CID 71530090) has the molecular formula C11H26ClN5O4 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
PubChem CID71530090
Molecular FormulaC11H26ClN5O4
Molecular Weight327.81 g/mol
Exact Mass327.17
IUPAC Name1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
SMILESCCC/N=C(\N)N/C(=N/C(C)C)NC(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H25N5.ClHO4/c1-6-7-13-10(12)16-11(14-8(2)3)15-9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3,(H4,12,13,14,15,16);(H,2,3,4,5)
InChIKeyIGUHQWHFHIGOLO-UHFFFAOYSA-N
XLogP-3.06
TPSA164.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid?
The IUPAC name of 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid (CID 71530090) is 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid.
What is the SMILES notation for 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid?
The canonical SMILES for 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid is CCC/N=C(\N)N/C(=N/C(C)C)NC(C)C.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid?
The InChIKey is IGUHQWHFHIGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5.ClHO4/c1-6-7-13-10(12)16-11(14-8(2)3)15-9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3,(H4,12,13,14,15,16);(H,2,3,4,5).
What are the key properties of 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid?
1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid has a molecular weight of 327.81 g/mol, XLogP of -3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid is sourced from PubChem (CID 71530090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).