2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine

C18H35N5 — CID 15353749

IUPAC2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=N/C(=N\C1CCCCC1)NC1CCCCC1)N(C)C
InChIInChI=1S/C18H35N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyOVEVRHPFUYEGGR-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.08
Rot. Bonds2

About 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine

2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine (PubChem CID 15353749) has the molecular formula C18H35N5 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
PubChem CID15353749
Molecular FormulaC18H35N5
Molecular Weight321.51 g/mol
Exact Mass321.29
IUPAC Name2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=N/C(=N\C1CCCCC1)NC1CCCCC1)N(C)C
InChIInChI=1S/C18H35N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyOVEVRHPFUYEGGR-UHFFFAOYSA-N
XLogP3.08
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

n,n'-Dicyclohexylguanidine
CID 407725
Amines
CID 139106940
1,3-Dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1,3-Dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
N,N''-Dicyclohexyl-N''''-cyclopropyl-guanidine
CID 44318068
N,N'-dicyclohexylpiperidine-1-carboximidamide
CID 10379543
1,2,3-Tricyclohexylguanidine
CID 316544
1-Butyl-2,3-dicyclohexyl-1-methylguanidine
CID 58238472
1,3-Dicyclohexyl-2-octylguanidine
CID 14771736
1-Cyano-2,3-dicyclohexylguanidine
CID 2825084
(5-Cyclohexyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)cyanamide
CID 6496899
2,3-Dicyclohexyl-1,1-dimethylguanidine
CID 14423437

Frequently Asked Questions

What is the IUPAC name of 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine (CID 15353749) is 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine is CN(C)C(=N/C(=N\C1CCCCC1)NC1CCCCC1)N(C)C.
What is the InChIKey of 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is OVEVRHPFUYEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine?
2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 321.51 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 15353749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).