2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine

C19H39N3 — CID 13497235

IUPAC2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)N(C(=NC1CCCCC1)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H39N3/c1-14(2)21(15(3)4)19(22(16(5)6)17(7)8)20-18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3
InChIKeyBDRDJUURNWIDPT-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.91
Rot. Bonds5

About 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine

2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine (PubChem CID 13497235) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine
PubChem CID13497235
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)N(C(=NC1CCCCC1)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H39N3/c1-14(2)21(15(3)4)19(22(16(5)6)17(7)8)20-18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3
InChIKeyBDRDJUURNWIDPT-UHFFFAOYSA-N
XLogP4.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine (CID 13497235) is 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine is CC(C)N(C(=NC1CCCCC1)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The InChIKey is BDRDJUURNWIDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-14(2)21(15(3)4)19(22(16(5)6)17(7)8)20-18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3.
What are the key properties of 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine?
2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine has a molecular weight of 309.54 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1,3,3-tetra(propan-2-yl)guanidine is sourced from PubChem (CID 13497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).