2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine

C18H32N4 — CID 111084905

IUPAC2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCCCCCCN(C)C)cc1
InChIInChI=1S/C18H32N4/c1-4-16-10-12-17(13-11-16)21-18(19)20-14-8-6-5-7-9-15-22(2)3/h10-13H,4-9,14-15H2,1-3H3,(H3,19,20,21)
InChIKeyNFKGMJUVPUILKB-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.49
Rot. Bonds10

About 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine

2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine (PubChem CID 111084905) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
PubChem CID111084905
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCCCCCCN(C)C)cc1
InChIInChI=1S/C18H32N4/c1-4-16-10-12-17(13-11-16)21-18(19)20-14-8-6-5-7-9-15-22(2)3/h10-13H,4-9,14-15H2,1-3H3,(H3,19,20,21)
InChIKeyNFKGMJUVPUILKB-UHFFFAOYSA-N
XLogP3.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.49
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'}

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Related Compounds

2-[7-(dimethylamino)heptyl]-1-(4-methylphenyl)guanidine
CID 111084897
methyl 6-[[amino-(4-ethylanilino)methylidene]amino]hexanoate
CID 111029138
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111023894
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111023893
methyl 5-[[amino-(4-ethylanilino)methylidene]amino]pentanoate;hydroiodide
CID 111086128
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111035813
2-dodecyl-1-phenylguanidine
CID 101076594
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
2-[2-(2-butoxyethoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111821812
1-tert-butyl-2-[7-(dimethylamino)heptyl]guanidine;hydroiodide
CID 111084886

Frequently Asked Questions

What is the IUPAC name of 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine (CID 111084905) is 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/CCCCCCCN(C)C)cc1.
What is the InChIKey of 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is NFKGMJUVPUILKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-4-16-10-12-17(13-11-16)21-18(19)20-14-8-6-5-7-9-15-22(2)3/h10-13H,4-9,14-15H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine?
2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 304.48 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111084905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).