1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

C9H20N4O2 — CID 104888797

IUPAC1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C9H20N4O2/c1-3-11-8(13-10)12-6-9(14-2)4-5-15-7-9/h3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyPVPLGHSODLZRPJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.78
Rot. Bonds4

About 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104888797) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104888797
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C9H20N4O2/c1-3-11-8(13-10)12-6-9(14-2)4-5-15-7-9/h3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyPVPLGHSODLZRPJ-UHFFFAOYSA-N
XLogP-0.78
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.78
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'}

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Related Compounds

methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium
CID 143419428
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104762296
1-Amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104882482
1-Amino-3-(1-methoxypropan-2-yl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882632
1-Amino-3-ethyl-2-(oxolan-3-ylmethyl)guanidine
CID 104882634
1-Amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882637
1-Amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882642
1-Amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine
CID 104887736
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104888795
1-Amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888796

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104888797) is 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is CCN/C(=N\CC1(OC)CCOC1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is PVPLGHSODLZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-3-11-8(13-10)12-6-9(14-2)4-5-15-7-9/h3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 216.28 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104888797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).