2-[(E)-(4-octylphenyl)methylideneamino]guanidine

C16H26N4 — CID 166950257

IUPAC2-[(E)-(4-octylphenyl)methylideneamino]guanidine
SMILESCCCCCCCCc1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)13-19-20-16(17)18/h9-13H,2-8H2,1H3,(H4,17,18,20)/b19-13+
InChIKeyGAPOUGBCJMHIAN-CPNJWEJPSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds9

About 2-[(E)-(4-octylphenyl)methylideneamino]guanidine

2-[(E)-(4-octylphenyl)methylideneamino]guanidine (PubChem CID 166950257) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(E)-(4-octylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(4-octylphenyl)methylideneamino]guanidine
PubChem CID166950257
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[(E)-(4-octylphenyl)methylideneamino]guanidine
SMILESCCCCCCCCc1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)13-19-20-16(17)18/h9-13H,2-8H2,1H3,(H4,17,18,20)/b19-13+
InChIKeyGAPOUGBCJMHIAN-CPNJWEJPSA-N
XLogP3.20
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
1,2-bis[(4-butylphenyl)methylideneamino]guanidine
CID 118918863
(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 19368303
(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
CID 6139858
2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
CID 87880623
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
2-[1-(4-heptylphenyl)ethylideneamino]guanidine
CID 90836565
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
2-[[4-(methylsulfonylmethyl)phenyl]methylideneamino]guanidine
CID 168591897
2-[(Z)-(3-bromo-4-nonoxyphenyl)methylideneamino]guanidine
CID 110533498

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-octylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(4-octylphenyl)methylideneamino]guanidine (CID 166950257) is 2-[(E)-(4-octylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(4-octylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(4-octylphenyl)methylideneamino]guanidine is CCCCCCCCc1ccc(/C=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-(4-octylphenyl)methylideneamino]guanidine?
The InChIKey is GAPOUGBCJMHIAN-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)13-19-20-16(17)18/h9-13H,2-8H2,1H3,(H4,17,18,20)/b19-13+.
What are the key properties of 2-[(E)-(4-octylphenyl)methylideneamino]guanidine?
2-[(E)-(4-octylphenyl)methylideneamino]guanidine has a molecular weight of 274.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-octylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 166950257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).