3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine

C9H22N4O — CID 104887509

IUPAC3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
SMILESCC/N=C(/NN)N(C)CCOC(C)C
InChIInChI=1S/C9H22N4O/c1-5-11-9(12-10)13(4)6-7-14-8(2)3/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyZJNOVKBBTIJVJB-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine

3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine (PubChem CID 104887509) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
PubChem CID104887509
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
SMILESCC/N=C(/NN)N(C)CCOC(C)C
InChIInChI=1S/C9H22N4O/c1-5-11-9(12-10)13(4)6-7-14-8(2)3/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyZJNOVKBBTIJVJB-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
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

3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104882358
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
CID 103192667
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
CID 104883678
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine
CID 104886480
2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine (CID 104887509) is 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine is CC/N=C(/NN)N(C)CCOC(C)C.
What is the InChIKey of 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is ZJNOVKBBTIJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-5-11-9(12-10)13(4)6-7-14-8(2)3/h8H,5-7,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine?
3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 202.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 104887509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).