1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine

C17H33N5 — CID 111386093

IUPAC1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
SMILESCCCCCCCCCN/C(=N\C)NCCCn1ccnc1
InChIInChI=1S/C17H33N5/c1-3-4-5-6-7-8-9-11-20-17(18-2)21-12-10-14-22-15-13-19-16-22/h13,15-16H,3-12,14H2,1-2H3,(H2,18,20,21)
InChIKeyGIQLEPAFFHRGAK-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.19
Rot. Bonds12

About 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine

1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine (PubChem CID 111386093) has the molecular formula C17H33N5 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
PubChem CID111386093
Molecular FormulaC17H33N5
Molecular Weight307.49 g/mol
Exact Mass307.27
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
SMILESCCCCCCCCCN/C(=N\C)NCCCn1ccnc1
InChIInChI=1S/C17H33N5/c1-3-4-5-6-7-8-9-11-20-17(18-2)21-12-10-14-22-15-13-19-16-22/h13,15-16H,3-12,14H2,1-2H3,(H2,18,20,21)
InChIKeyGIQLEPAFFHRGAK-UHFFFAOYSA-N
XLogP3.19
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.19
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-(3-butoxypropyl)-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 75420975
1-(3-imidazol-1-ylpropyl)-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212394
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-pentylguanidine
CID 111129345
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135288
1-(3-ethoxy-4-methylpentyl)-3-(3-imidazol-1-ylpropyl)-2-methylguanidine
CID 111717800
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
1-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111222590
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203438

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine (CID 111386093) is 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine is CCCCCCCCCN/C(=N\C)NCCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine?
The InChIKey is GIQLEPAFFHRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5/c1-3-4-5-6-7-8-9-11-20-17(18-2)21-12-10-14-22-15-13-19-16-22/h13,15-16H,3-12,14H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine?
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine has a molecular weight of 307.49 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine is sourced from PubChem (CID 111386093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).