1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

C8H20N4O — CID 104888774

IUPAC1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NN
InChIInChI=1S/C8H20N4O/c1-5-10-7(12-9)11-6-8(2,3)13-4/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyMAOBHCCLQFNGBO-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.16
Rot. Bonds4

About 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 104888774) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
PubChem CID104888774
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NN
InChIInChI=1S/C8H20N4O/c1-5-10-7(12-9)11-6-8(2,3)13-4/h5-6,9H2,1-4H3,(H2,10,11,12)
InChIKeyMAOBHCCLQFNGBO-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
CID 111607567
1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
CID 104888779
ethyl 4-[[N-ethyl-N'-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]butanoate
CID 111607873
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111608209
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606073
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607126
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111605270
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methoxy-2-methylpropyl)guanidine
CID 111605245
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111607614
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607626

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (CID 104888774) is 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)(C)OC)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is MAOBHCCLQFNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-5-10-7(12-9)11-6-8(2,3)13-4/h5-6,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 188.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 104888774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).