1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine

C17H34N6 — CID 89312175

IUPAC1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCC1(C)CC(/N=C(\N)N/C(N)=N/C2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H34N6/c1-16(2)10-13(11-17(3,4)23-16)21-15(19)22-14(18)20-12-8-6-5-7-9-12/h12-13,23H,5-11H2,1-4H3,(H5,18,19,20,21,22)
InChIKeyZPYMZYABOHQZRG-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.85
Rot. Bonds2

About 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine

1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (PubChem CID 89312175) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
PubChem CID89312175
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
SMILESCC1(C)CC(/N=C(\N)N/C(N)=N/C2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H34N6/c1-16(2)10-13(11-17(3,4)23-16)21-15(19)22-14(18)20-12-8-6-5-7-9-12/h12-13,23H,5-11H2,1-4H3,(H5,18,19,20,21,22)
InChIKeyZPYMZYABOHQZRG-UHFFFAOYSA-N
XLogP1.85
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.85
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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Related Compounds

Hexahydro-2-imino-5-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-1-carbonitrile
CID 547468
1-(2,2,6,6-Tetramethylpiperidin-4-yl)guanidine
CID 7176005
2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
CID 18551436
2-Cyano-1-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741920
2-Cyano-1-cyclohexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 19741925
N,N'-Bis(2,2,6,6-tetramethylpiperidin-4-yl)methanimidamide
CID 19826374
2-Cyano-1-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 53875648
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediimine
CID 57109377
1-Cyano-2-hexyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57205310
1-Cyano-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57221585
1-Cyano-2-octyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine
CID 57284883
1-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]-2-(2,4,4-trimethylpentan-2-yl)guanidine
CID 89312177

Frequently Asked Questions

What is the IUPAC name of 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The IUPAC name of 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine (CID 89312175) is 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is CC1(C)CC(/N=C(\N)N/C(N)=N/C2CCCCC2)CC(C)(C)N1.
What is the InChIKey of 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
The InChIKey is ZPYMZYABOHQZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-16(2)10-13(11-17(3,4)23-16)21-15(19)22-14(18)20-12-8-6-5-7-9-12/h12-13,23H,5-11H2,1-4H3,(H5,18,19,20,21,22).
What are the key properties of 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine?
1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine has a molecular weight of 322.50 g/mol, XLogP of 1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-cyclohexylcarbamimidoyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 89312175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).