1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine

C14H32N4O — CID 111066563

IUPAC1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
SMILESCCCCCCN/C(N)=N/CCCN(C)CCOC
InChIInChI=1S/C14H32N4O/c1-4-5-6-7-9-16-14(15)17-10-8-11-18(2)12-13-19-3/h4-13H2,1-3H3,(H3,15,16,17)
InChIKeyYQVWSGIKIIMJPH-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.44
Rot. Bonds12

About 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine

1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine (PubChem CID 111066563) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
PubChem CID111066563
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
SMILESCCCCCCN/C(N)=N/CCCN(C)CCOC
InChIInChI=1S/C14H32N4O/c1-4-5-6-7-9-16-14(15)17-10-8-11-18(2)12-13-19-3/h4-13H2,1-3H3,(H3,15,16,17)
InChIKeyYQVWSGIKIIMJPH-UHFFFAOYSA-N
XLogP1.44
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-butyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066546
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111161319
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The IUPAC name of 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine (CID 111066563) is 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine.
What is the SMILES notation for 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The canonical SMILES for 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine is CCCCCCN/C(N)=N/CCCN(C)CCOC.
What is the InChIKey of 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The InChIKey is YQVWSGIKIIMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-4-5-6-7-9-16-14(15)17-10-8-11-18(2)12-13-19-3/h4-13H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine has a molecular weight of 272.44 g/mol, XLogP of 1.44, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine is sourced from PubChem (CID 111066563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).