1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide

C14H26IN5 — CID 110958079

IUPAC1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCn1ccnc1)NC1CCCCC1.I
InChIInChI=1S/C14H25N5.HI/c1-15-14(18-13-6-3-2-4-7-13)17-8-5-10-19-11-9-16-12-19;/h9,11-13H,2-8,10H2,1H3,(H2,15,17,18);1H
InChIKeyPLTZTCQOFUFRKH-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide

1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 110958079) has the molecular formula C14H26IN5 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
PubChem CID110958079
Molecular FormulaC14H26IN5
Molecular Weight391.30 g/mol
Exact Mass391.12
IUPAC Name1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCn1ccnc1)NC1CCCCC1.I
InChIInChI=1S/C14H25N5.HI/c1-15-14(18-13-6-3-2-4-7-13)17-8-5-10-19-11-9-16-12-19;/h9,11-13H,2-8,10H2,1H3,(H2,15,17,18);1H
InChIKeyPLTZTCQOFUFRKH-UHFFFAOYSA-N
XLogP2.39
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.39
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
ethyl 4-[[N-(3-imidazol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327788
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-cyclohexyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110958222
1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111946359
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-(3-butoxypropyl)-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 75420975
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292346
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 110986937

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide (CID 110958079) is 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCCn1ccnc1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is PLTZTCQOFUFRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.HI/c1-15-14(18-13-6-3-2-4-7-13)17-8-5-10-19-11-9-16-12-19;/h9,11-13H,2-8,10H2,1H3,(H2,15,17,18);1H.
What are the key properties of 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110958079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).