1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine

C11H24N4O2 — CID 114130897

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCC1CCOC1)NN
InChIInChI=1S/C11H24N4O2/c1-9(7-16-2)14-11(15-12)13-5-3-10-4-6-17-8-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyAXVAZBKIVSSJJL-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.14
Rot. Bonds6

About 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine (PubChem CID 114130897) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
PubChem CID114130897
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCC1CCOC1)NN
InChIInChI=1S/C11H24N4O2/c1-9(7-16-2)14-11(15-12)13-5-3-10-4-6-17-8-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyAXVAZBKIVSSJJL-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]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

1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
CID 104884067
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
1-(1-methoxypropan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818576
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-(1-methoxypropan-2-yl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111773916
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
2-[[(1-methoxypropan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906862
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
CID 104889055
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine (CID 114130897) is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine is COCC(C)N/C(=N/CCC1CCOC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine?
The InChIKey is AXVAZBKIVSSJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-9(7-16-2)14-11(15-12)13-5-3-10-4-6-17-8-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine has a molecular weight of 244.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine is sourced from PubChem (CID 114130897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).