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

C19H39N3 — CID 21468132

IUPAC1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\N(C(C)C)C(C)C)N(C(C)C)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-14(2)20-19(21(15(3)4)16(5)6)22(17(7)8)18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3/b20-19+
InChIKeyWOMMPFZPXBVGJF-FMQUCBEESA-N
MW309.54 g/mol
LogP4.91
Rot. Bonds5

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

1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine (PubChem CID 21468132) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine
PubChem CID21468132
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\N(C(C)C)C(C)C)N(C(C)C)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-14(2)20-19(21(15(3)4)16(5)6)22(17(7)8)18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3/b20-19+
InChIKeyWOMMPFZPXBVGJF-FMQUCBEESA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The IUPAC name of 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine (CID 21468132) is 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine.
What is the SMILES notation for 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The canonical SMILES for 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine is CC(C)/N=C(\N(C(C)C)C(C)C)N(C(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine?
The InChIKey is WOMMPFZPXBVGJF-FMQUCBEESA-N. The full InChI is InChI=1S/C19H39N3/c1-14(2)20-19(21(15(3)4)16(5)6)22(17(7)8)18-12-10-9-11-13-18/h14-18H,9-13H2,1-8H3/b20-19+.
What are the key properties of 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine?
1-cyclohexyl-1,2,3,3-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 1-cyclohexyl-1,2,3,3-tetra(propan-2-yl)guanidine is sourced from PubChem (CID 21468132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).