2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine

C15H22N4O — CID 168590874

IUPAC2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c16-15(17)19-18-10-12-6-8-13(9-7-12)11-20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H4,16,17,19)
InChIKeyAIUGUXLPPQDYID-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.14
Rot. Bonds5

About 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine

2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine (PubChem CID 168590874) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine
PubChem CID168590874
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c16-15(17)19-18-10-12-6-8-13(9-7-12)11-20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H4,16,17,19)
InChIKeyAIUGUXLPPQDYID-UHFFFAOYSA-N
XLogP2.14
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

benzyl N'-[[4-(cyclopentyloxymethyl)phenyl]methylideneamino]carbamimidothioate
CID 168611477
2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168590831
[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]thiourea
CID 168534487
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
4-(cycloheptyloxymethyl)benzenecarbothioamide
CID 61071587
2-[(4-cyclohexylsulfanylphenyl)methylideneamino]guanidine
CID 168591988
2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574250
3-[4-(cycloheptyloxymethyl)phenyl]prop-2-enoic acid
CID 76908802
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methanol
CID 126675322
[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
CID 168532047

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine (CID 168590874) is 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(COC2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine?
The InChIKey is AIUGUXLPPQDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-15(17)19-18-10-12-6-8-13(9-7-12)11-20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H4,16,17,19).
What are the key properties of 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine?
2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine has a molecular weight of 274.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).