2-[1-(4-heptylphenyl)ethylideneamino]guanidine

C16H26N4 — CID 90836565

IUPAC2-[1-(4-heptylphenyl)ethylideneamino]guanidine
SMILESCCCCCCCc1ccc(C(C)=NN=C(N)N)cc1
InChIInChI=1S/C16H26N4/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)19-20-16(17)18/h9-12H,3-8H2,1-2H3,(H4,17,18,20)
InChIKeyONLBCAVBJQVEGT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds8

About 2-[1-(4-heptylphenyl)ethylideneamino]guanidine

2-[1-(4-heptylphenyl)ethylideneamino]guanidine (PubChem CID 90836565) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(4-heptylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(4-heptylphenyl)ethylideneamino]guanidine
PubChem CID90836565
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[1-(4-heptylphenyl)ethylideneamino]guanidine
SMILESCCCCCCCc1ccc(C(C)=NN=C(N)N)cc1
InChIInChI=1S/C16H26N4/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)19-20-16(17)18/h9-12H,3-8H2,1-2H3,(H4,17,18,20)
InChIKeyONLBCAVBJQVEGT-UHFFFAOYSA-N
XLogP3.20
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
CID 131880282
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
4-octylbenzamide;hydrochloride
CID 131740255
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-butyl-4-nonylbenzene
CID 59545302
1-(4-pentylphenyl)ethanethione
CID 145379251
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
(E)-N-[(E)-1-(7-octyl-9,10-dihydrophenanthren-2-yl)ethylideneamino]propan-2-imine
CID 172934411
(Z)-1-(4-butylphenyl)-N-methoxyethanimine
CID 90777266
2-amino-2-[2-(4-decylphenyl)ethyl]propane-1,3-diol
CID 10595435
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-heptylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[1-(4-heptylphenyl)ethylideneamino]guanidine (CID 90836565) is 2-[1-(4-heptylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-(4-heptylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[1-(4-heptylphenyl)ethylideneamino]guanidine is CCCCCCCc1ccc(C(C)=NN=C(N)N)cc1.
What is the InChIKey of 2-[1-(4-heptylphenyl)ethylideneamino]guanidine?
The InChIKey is ONLBCAVBJQVEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)19-20-16(17)18/h9-12H,3-8H2,1-2H3,(H4,17,18,20).
What are the key properties of 2-[1-(4-heptylphenyl)ethylideneamino]guanidine?
2-[1-(4-heptylphenyl)ethylideneamino]guanidine has a molecular weight of 274.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-heptylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 90836565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).