3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine

C8H20N4O — CID 104882358

IUPAC3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
SMILESC/N=C(\NN)N(C)CCOC(C)C
InChIInChI=1S/C8H20N4O/c1-7(2)13-6-5-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyGHXCJLFQHNYZNN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.21
Rot. Bonds4

About 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine

3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine (PubChem CID 104882358) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
PubChem CID104882358
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine
SMILESC/N=C(\NN)N(C)CCOC(C)C
InChIInChI=1S/C8H20N4O/c1-7(2)13-6-5-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyGHXCJLFQHNYZNN-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.21
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-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104887509
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
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
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250
(2R)-2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104903767
2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanethioamide
CID 81055852
3-(iodoamino)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 170371515

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine (CID 104882358) is 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine is C/N=C(\NN)N(C)CCOC(C)C.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is GHXCJLFQHNYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-7(2)13-6-5-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine?
3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 188.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 104882358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).