1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine

C25H31N5O2 — CID 123913472

IUPAC1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccc(OC2CCCC2)cc1)NN=Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H31N5O2/c26-25(29-27-17-19-9-13-23(14-10-19)31-21-5-1-2-6-21)30-28-18-20-11-15-24(16-12-20)32-22-7-3-4-8-22/h9-18,21-22H,1-8H2,(H3,26,29,30)
InChIKeyKIINFXFAOUCDAS-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.60
Rot. Bonds8

About 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine

1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine (PubChem CID 123913472) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine
PubChem CID123913472
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccc(OC2CCCC2)cc1)NN=Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H31N5O2/c26-25(29-27-17-19-9-13-23(14-10-19)31-21-5-1-2-6-21)30-28-18-20-11-15-24(16-12-20)32-22-7-3-4-8-22/h9-18,21-22H,1-8H2,(H3,26,29,30)
InChIKeyKIINFXFAOUCDAS-UHFFFAOYSA-N
XLogP4.60
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
1,2-bis[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 21497899
N-[(4-cyclohexyloxyphenyl)methylideneamino]methanamine
CID 110839617
1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
CID 6778167
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine (CID 123913472) is 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine is NC(=NN=Cc1ccc(OC2CCCC2)cc1)NN=Cc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine?
The InChIKey is KIINFXFAOUCDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-25(29-27-17-19-9-13-23(14-10-19)31-21-5-1-2-6-21)30-28-18-20-11-15-24(16-12-20)32-22-7-3-4-8-22/h9-18,21-22H,1-8H2,(H3,26,29,30).
What are the key properties of 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine?
1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine has a molecular weight of 433.56 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-cyclopentyloxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 123913472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).