2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine

C18H36N4 — CID 142751668

IUPAC2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCN(C1CCCCC1)C1CCCCC1)N(C)C
InChIInChI=1S/C18H36N4/c1-20(2)18(21(3)4)19-15-22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3
InChIKeyFREUXGNHUSXPKA-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.39
Rot. Bonds4

About 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine

2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 142751668) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID142751668
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCN(C1CCCCC1)C1CCCCC1)N(C)C
InChIInChI=1S/C18H36N4/c1-20(2)18(21(3)4)19-15-22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3
InChIKeyFREUXGNHUSXPKA-UHFFFAOYSA-N
XLogP3.39
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine (CID 142751668) is 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCN(C1CCCCC1)C1CCCCC1)N(C)C.
What is the InChIKey of 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is FREUXGNHUSXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-20(2)18(21(3)4)19-15-22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine?
2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 308.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dicyclohexylamino)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 142751668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).