1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine

C8H20N4O2 — CID 102702168

IUPAC1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
SMILESCOCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C8H20N4O2/c1-7(14-3)6-11-8(12-9)10-4-5-13-2/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyDUZTUNHJZNDJKB-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.92
Rot. Bonds6

About 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine

1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine (PubChem CID 102702168) has the molecular formula C8H20N4O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
PubChem CID102702168
Molecular FormulaC8H20N4O2
Molecular Weight204.27 g/mol
Exact Mass204.16
IUPAC Name1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
SMILESCOCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C8H20N4O2/c1-7(14-3)6-11-8(12-9)10-4-5-13-2/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyDUZTUNHJZNDJKB-UHFFFAOYSA-N
XLogP-0.92
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(3-ethoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886393
1-Amino-2-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886395
1-Amino-2-(3-methoxypropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886397
1-Amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886402
1-Amino-3-(2-methoxyethyl)-2-(4,4,4-trifluorobutyl)guanidine
CID 104888058
1-Amino-3-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine
CID 105921607
1-Amino-3-[2-(2,2-difluoroethoxy)ethyl]-2-(3-ethoxypropyl)guanidine
CID 105921608
1-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-3-(2-methoxyethyl)guanidine
CID 105921609
1-Amino-3-[2-(2,2-difluoroethoxy)ethyl]-2-(3-methoxypropyl)guanidine
CID 105921615
1-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 105921617
1-Amino-3-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 113530918
2-Methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
CID 166950375

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine (CID 102702168) is 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine is COCCN/C(=N\CC(C)OC)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine?
The InChIKey is DUZTUNHJZNDJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2/c1-7(14-3)6-11-8(12-9)10-4-5-13-2/h7H,4-6,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine?
1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine has a molecular weight of 204.27 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102702168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).