2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine

C14H22N4O2 — CID 168590620

IUPAC2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
SMILESCCCCCOc1ccc(C=NN=C(N)N)cc1OC
InChIInChI=1S/C14H22N4O2/c1-3-4-5-8-20-12-7-6-11(9-13(12)19-2)10-17-18-14(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H4,15,16,18)
InChIKeyTYUDQTJQOPOJSZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.87
Rot. Bonds8

About 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine

2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine (PubChem CID 168590620) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
PubChem CID168590620
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
SMILESCCCCCOc1ccc(C=NN=C(N)N)cc1OC
InChIInChI=1S/C14H22N4O2/c1-3-4-5-8-20-12-7-6-11(9-13(12)19-2)10-17-18-14(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H4,15,16,18)
InChIKeyTYUDQTJQOPOJSZ-UHFFFAOYSA-N
XLogP1.87
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
2-[(Z)-(3-bromo-4-nonoxyphenyl)methylideneamino]guanidine
CID 110533498
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(3-butoxy-4-methylphenyl)methylideneamino]guanidine
CID 168590671
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592369

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine (CID 168590620) is 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine is CCCCCOc1ccc(C=NN=C(N)N)cc1OC.
What is the InChIKey of 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine?
The InChIKey is TYUDQTJQOPOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-5-8-20-12-7-6-11(9-13(12)19-2)10-17-18-14(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H4,15,16,18).
What are the key properties of 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine?
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine has a molecular weight of 278.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168590620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).