2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide

C19H31IN4O — CID 111962500

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
SMILESC/N=C(/NCC(c1ccc(C)cc1)N1CCOCC1)NC1CC1C.I
InChIInChI=1S/C19H30N4O.HI/c1-14-4-6-16(7-5-14)18(23-8-10-24-11-9-23)13-21-19(20-3)22-17-12-15(17)2;/h4-7,15,17-18H,8-13H2,1-3H3,(H2,20,21,22);1H
InChIKeyHNKMOUNXBBAXNW-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide (PubChem CID 111962500) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
PubChem CID111962500
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
SMILESC/N=C(/NCC(c1ccc(C)cc1)N1CCOCC1)NC1CC1C.I
InChIInChI=1S/C19H30N4O.HI/c1-14-4-6-16(7-5-14)18(23-8-10-24-11-9-23)13-21-19(20-3)22-17-12-15(17)2;/h4-7,15,17-18H,8-13H2,1-3H3,(H2,20,21,22);1H
InChIKeyHNKMOUNXBBAXNW-UHFFFAOYSA-N
XLogP2.56
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 52.56
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-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961619
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963706
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111142580
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961881
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111009010
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111310093
tert-butyl N-[3-[[N'-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885770
2-methyl-1-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006634
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110990423
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111183192
2-methyl-1-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522415
2-methyl-1-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide (CID 111962500) is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide is C/N=C(/NCC(c1ccc(C)cc1)N1CCOCC1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The InChIKey is HNKMOUNXBBAXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-14-4-6-16(7-5-14)18(23-8-10-24-11-9-23)13-21-19(20-3)22-17-12-15(17)2;/h4-7,15,17-18H,8-13H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111962500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).