1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine

C12H25N3O — CID 111961991

IUPAC1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCCCCOC)NC1CC1C
InChIInChI=1S/C12H25N3O/c1-10-9-11(10)15-12(13-2)14-7-5-4-6-8-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGQFQRKFRVMOVFT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds7

About 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine

1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111961991) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111961991
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCCCCOC)NC1CC1C
InChIInChI=1S/C12H25N3O/c1-10-9-11(10)15-12(13-2)14-7-5-4-6-8-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGQFQRKFRVMOVFT-UHFFFAOYSA-N
XLogP1.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]pentanoate
CID 111963053
2-methyl-1-(2-methylcyclopropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111963724
2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111963245
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111693798
2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111963244
1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961877
1-(5-methoxypentyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316831
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126
tert-butyl 3-[[N-(5-methoxypentyl)-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465791
2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111961691
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine (CID 111961991) is 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine is C/N=C(\NCCCCCOC)NC1CC1C.
What is the InChIKey of 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is GQFQRKFRVMOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-9-11(10)15-12(13-2)14-7-5-4-6-8-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111961991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).