1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine

C10H23N3O — CID 110975003

IUPAC1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NCCCOC)NCC(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyFGLFLCUYUPFJLY-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.84
Rot. Bonds6

About 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine

1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 110975003) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID110975003
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NCCCOC)NCC(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyFGLFLCUYUPFJLY-UHFFFAOYSA-N
XLogP0.84
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.84
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'}

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Related Compounds

1-[2-(diethylamino)-4-methylpentyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976594
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622456
1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 110941208
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
CID 110941010
1-[2-(dimethylamino)-3-ethylpentyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976604
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111180580
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111181207
1-[2-(4-fluorophenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111494395
1-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935379

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine (CID 110975003) is 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine is C/N=C(\NCCCOC)NCC(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is FGLFLCUYUPFJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 110975003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).