1,1,2,3-tetrabutyl-3-cyclohexylguanidine

C23H47N3 — CID 18363112

IUPAC1,1,2,3-tetrabutyl-3-cyclohexylguanidine
SMILESCCCC/N=C(\N(CCCC)CCCC)N(CCCC)C1CCCCC1
InChIInChI=1S/C23H47N3/c1-5-9-18-24-23(25(19-10-6-2)20-11-7-3)26(21-12-8-4)22-16-14-13-15-17-22/h22H,5-21H2,1-4H3/b24-23+
InChIKeyWCRHHNDDHSCLPV-WCWDXBQESA-N
MW365.65 g/mol
LogP6.48
Rot. Bonds13

About 1,1,2,3-tetrabutyl-3-cyclohexylguanidine

1,1,2,3-tetrabutyl-3-cyclohexylguanidine (PubChem CID 18363112) has the molecular formula C23H47N3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 1,1,2,3-tetrabutyl-3-cyclohexylguanidine.

Molecular Properties

Compound Name1,1,2,3-tetrabutyl-3-cyclohexylguanidine
PubChem CID18363112
Molecular FormulaC23H47N3
Molecular Weight365.65 g/mol
Exact Mass365.38
IUPAC Name1,1,2,3-tetrabutyl-3-cyclohexylguanidine
SMILESCCCC/N=C(\N(CCCC)CCCC)N(CCCC)C1CCCCC1
InChIInChI=1S/C23H47N3/c1-5-9-18-24-23(25(19-10-6-2)20-11-7-3)26(21-12-8-4)22-16-14-13-15-17-22/h22H,5-21H2,1-4H3/b24-23+
InChIKeyWCRHHNDDHSCLPV-WCWDXBQESA-N
XLogP6.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,1,2,3-tetrabutyl-3-cyclohexylguanidine?
The IUPAC name of 1,1,2,3-tetrabutyl-3-cyclohexylguanidine (CID 18363112) is 1,1,2,3-tetrabutyl-3-cyclohexylguanidine.
What is the SMILES notation for 1,1,2,3-tetrabutyl-3-cyclohexylguanidine?
The canonical SMILES for 1,1,2,3-tetrabutyl-3-cyclohexylguanidine is CCCC/N=C(\N(CCCC)CCCC)N(CCCC)C1CCCCC1.
What is the InChIKey of 1,1,2,3-tetrabutyl-3-cyclohexylguanidine?
The InChIKey is WCRHHNDDHSCLPV-WCWDXBQESA-N. The full InChI is InChI=1S/C23H47N3/c1-5-9-18-24-23(25(19-10-6-2)20-11-7-3)26(21-12-8-4)22-16-14-13-15-17-22/h22H,5-21H2,1-4H3/b24-23+.
What are the key properties of 1,1,2,3-tetrabutyl-3-cyclohexylguanidine?
1,1,2,3-tetrabutyl-3-cyclohexylguanidine has a molecular weight of 365.65 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrabutyl-3-cyclohexylguanidine is sourced from PubChem (CID 18363112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).