1-cyclohexyl-1,2,3,3-tetrapropylguanidine

C19H39N3 — CID 21468136

IUPAC1-cyclohexyl-1,2,3,3-tetrapropylguanidine
SMILESCCC/N=C(\N(CCC)CCC)N(CCC)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-5-14-20-19(21(15-6-2)16-7-3)22(17-8-4)18-12-10-9-11-13-18/h18H,5-17H2,1-4H3/b20-19+
InChIKeyNIQBOVOVVKLHEZ-FMQUCBEESA-N
MW309.54 g/mol
LogP4.92
Rot. Bonds9

About 1-cyclohexyl-1,2,3,3-tetrapropylguanidine

1-cyclohexyl-1,2,3,3-tetrapropylguanidine (PubChem CID 21468136) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-cyclohexyl-1,2,3,3-tetrapropylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-1,2,3,3-tetrapropylguanidine
PubChem CID21468136
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-cyclohexyl-1,2,3,3-tetrapropylguanidine
SMILESCCC/N=C(\N(CCC)CCC)N(CCC)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-5-14-20-19(21(15-6-2)16-7-3)22(17-8-4)18-12-10-9-11-13-18/h18H,5-17H2,1-4H3/b20-19+
InChIKeyNIQBOVOVVKLHEZ-FMQUCBEESA-N
XLogP4.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.92
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-tetrapropylguanidine?
The IUPAC name of 1-cyclohexyl-1,2,3,3-tetrapropylguanidine (CID 21468136) is 1-cyclohexyl-1,2,3,3-tetrapropylguanidine.
What is the SMILES notation for 1-cyclohexyl-1,2,3,3-tetrapropylguanidine?
The canonical SMILES for 1-cyclohexyl-1,2,3,3-tetrapropylguanidine is CCC/N=C(\N(CCC)CCC)N(CCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,2,3,3-tetrapropylguanidine?
The InChIKey is NIQBOVOVVKLHEZ-FMQUCBEESA-N. The full InChI is InChI=1S/C19H39N3/c1-5-14-20-19(21(15-6-2)16-7-3)22(17-8-4)18-12-10-9-11-13-18/h18H,5-17H2,1-4H3/b20-19+.
What are the key properties of 1-cyclohexyl-1,2,3,3-tetrapropylguanidine?
1-cyclohexyl-1,2,3,3-tetrapropylguanidine has a molecular weight of 309.54 g/mol, XLogP of 4.92, 9 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-tetrapropylguanidine is sourced from PubChem (CID 21468136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).