1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

C17H37IN4O — CID 111802199

IUPAC1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(C)CN1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-16(4)20-17(18)19-12-15(3)13-21-8-10-22-11-9-21;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H
InChIKeyJUKFOYUDXZCIKZ-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.69
Rot. Bonds9

About 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111802199) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111802199
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(C)CN1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-16(4)20-17(18)19-12-15(3)13-21-8-10-22-11-9-21;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H
InChIKeyJUKFOYUDXZCIKZ-UHFFFAOYSA-N
XLogP2.69
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(6-methylheptan-2-yl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111033501
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
CID 111802229
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306
1-[(2S)-6-methylheptan-2-yl]-2-(oxan-4-ylmethyl)guanidine
CID 99816266
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519
1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058307
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111058215
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111802199) is 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CC(C)CN1CCOCC1.I.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is JUKFOYUDXZCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-16(4)20-17(18)19-12-15(3)13-21-8-10-22-11-9-21;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H.
What are the key properties of 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111802199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).