2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine

C18H36N4O — CID 111713586

IUPAC2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H36N4O/c1-5-6-15-12-17(15)21-18(19-4)20-13-16(11-14(2)3)22-7-9-23-10-8-22/h14-17H,5-13H2,1-4H3,(H2,19,20,21)
InChIKeyACBRKGRQLXUCJJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.09
Rot. Bonds8

About 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine

2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713586) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
PubChem CID111713586
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H36N4O/c1-5-6-15-12-17(15)21-18(19-4)20-13-16(11-14(2)3)22-7-9-23-10-8-22/h14-17H,5-13H2,1-4H3,(H2,19,20,21)
InChIKeyACBRKGRQLXUCJJ-UHFFFAOYSA-N
XLogP2.09
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.09
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'}

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Related Compounds

1-cyclohexyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110959205
1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111990629
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methylsulfanylethyl)guanidine
CID 111345121
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713658
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
N-cyclopropyl-4-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]butanamide
CID 111935471
methyl 2-methyl-3-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111936206
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
CID 111713768
1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110954790
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(3-propan-2-yloxypropyl)guanidine
CID 111246771
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110934699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine (CID 111713586) is 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/C)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine?
The InChIKey is ACBRKGRQLXUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-5-6-15-12-17(15)21-18(19-4)20-13-16(11-14(2)3)22-7-9-23-10-8-22/h14-17H,5-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine?
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine has a molecular weight of 324.51 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).