1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine

C19H40N6 — CID 89312177

IUPAC1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine
SMILESCC(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H40N6/c1-16(2,3)12-19(8,9)24-15(21)23-14(20)22-13-10-17(4,5)25-18(6,7)11-13/h13,25H,10-12H2,1-9H3,(H5,20,21,22,23,24)
InChIKeyABRHVGXKFFPJAS-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.73
Rot. Bonds3

About 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine

1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine (PubChem CID 89312177) has the molecular formula C19H40N6 and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine.

Molecular Properties

Compound Name1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine
PubChem CID89312177
Molecular FormulaC19H40N6
Molecular Weight352.57 g/mol
Exact Mass352.33
IUPAC Name1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine
SMILESCC(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H40N6/c1-16(2,3)12-19(8,9)24-15(21)23-14(20)22-13-10-17(4,5)25-18(6,7)11-13/h13,25H,10-12H2,1-9H3,(H5,20,21,22,23,24)
InChIKeyABRHVGXKFFPJAS-UHFFFAOYSA-N
XLogP2.73
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine?
The IUPAC name of 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine (CID 89312177) is 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine.
What is the SMILES notation for 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine?
The canonical SMILES for 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine is CC(C)(C)CC(C)(C)/N=C(\N)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine?
The InChIKey is ABRHVGXKFFPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N6/c1-16(2,3)12-19(8,9)24-15(21)23-14(20)22-13-10-17(4,5)25-18(6,7)11-13/h13,25H,10-12H2,1-9H3,(H5,20,21,22,23,24).
What are the key properties of 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine?
1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine has a molecular weight of 352.57 g/mol, XLogP of 2.73, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine is sourced from PubChem (CID 89312177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).