2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide

C17H35IN4O — CID 111837100

IUPAC2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(C)N1CCOCC1C)NC1CCC(C)CC1.I
InChIInChI=1S/C17H34N4O.HI/c1-13-5-7-16(8-6-13)20-17(18-4)19-11-14(2)21-9-10-22-12-15(21)3;/h13-16H,5-12H2,1-4H3,(H2,18,19,20);1H
InChIKeyLGTCSKYGCRTQTA-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide

2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide (PubChem CID 111837100) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
PubChem CID111837100
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(C)N1CCOCC1C)NC1CCC(C)CC1.I
InChIInChI=1S/C17H34N4O.HI/c1-13-5-7-16(8-6-13)20-17(18-4)19-11-14(2)21-9-10-22-12-15(21)3;/h13-16H,5-12H2,1-4H3,(H2,18,19,20);1H
InChIKeyLGTCSKYGCRTQTA-UHFFFAOYSA-N
XLogP2.46
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.46
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

2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111834776
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839631
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111838575
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836401
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 109470505
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839210
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 109470506
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111837181
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111837618
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111835425
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835834
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide (CID 111837100) is 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide is C/N=C(\NCC(C)N1CCOCC1C)NC1CCC(C)CC1.I.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
The InChIKey is LGTCSKYGCRTQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-13-5-7-16(8-6-13)20-17(18-4)19-11-14(2)21-9-10-22-12-15(21)3;/h13-16H,5-12H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide?
2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111837100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).