1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine

C10H24N4O — CID 104885989

IUPAC1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
SMILESCOCCN/C(=N\CCCC(C)C)NN
InChIInChI=1S/C10H24N4O/c1-9(2)5-4-6-12-10(14-11)13-7-8-15-3/h9H,4-8,11H2,1-3H3,(H2,12,13,14)
InChIKeyRSWPSHTZLSSKLI-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.48
Rot. Bonds7

About 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine

1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine (PubChem CID 104885989) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
PubChem CID104885989
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
SMILESCOCCN/C(=N\CCCC(C)C)NN
InChIInChI=1S/C10H24N4O/c1-9(2)5-4-6-12-10(14-11)13-7-8-15-3/h9H,4-8,11H2,1-3H3,(H2,12,13,14)
InChIKeyRSWPSHTZLSSKLI-UHFFFAOYSA-N
XLogP0.48
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
CID 110941010
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 110976669
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine (CID 104885989) is 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine is COCCN/C(=N\CCCC(C)C)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine?
The InChIKey is RSWPSHTZLSSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-9(2)5-4-6-12-10(14-11)13-7-8-15-3/h9H,4-8,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine?
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine has a molecular weight of 216.33 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine is sourced from PubChem (CID 104885989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).