N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide

C9H21N3O — CID 62543671

IUPACN-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
SMILESCOCC/N=C(/CC(C)(C)C)NN
InChIInChI=1S/C9H21N3O/c1-9(2,3)7-8(12-10)11-5-6-13-4/h5-7,10H2,1-4H3,(H,11,12)
InChIKeyPHZABUBGEUFMBE-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.93
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide

N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide (PubChem CID 62543671) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
PubChem CID62543671
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
SMILESCOCC/N=C(/CC(C)(C)C)NN
InChIInChI=1S/C9H21N3O/c1-9(2,3)7-8(12-10)11-5-6-13-4/h5-7,10H2,1-4H3,(H,11,12)
InChIKeyPHZABUBGEUFMBE-UHFFFAOYSA-N
XLogP0.93
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-amino-N'-(2-methoxyethyl)butanimidamide
CID 62544957
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
N-amino-N'-tert-butyl-3,3-dimethylbutanimidamide
CID 61361306
N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542669
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
4,4-dimethylpent-1-en-2-ylhydrazine
CID 162357981
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
CID 104886038
N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide
CID 62544146

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide (CID 62543671) is N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide is COCC/N=C(/CC(C)(C)C)NN.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide?
The InChIKey is PHZABUBGEUFMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,3)7-8(12-10)11-5-6-13-4/h5-7,10H2,1-4H3,(H,11,12).
What are the key properties of N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide?
N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide is sourced from PubChem (CID 62543671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).