4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide

C12H27N3O — CID 82951402

IUPAC4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCOC)C(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)15(8-9-16-5)7-6-12(3,4)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14)
InChIKeyFKGNPXLKBHELBN-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.70
Rot. Bonds8

About 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide

4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide (PubChem CID 82951402) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
PubChem CID82951402
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCOC)C(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)15(8-9-16-5)7-6-12(3,4)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14)
InChIKeyFKGNPXLKBHELBN-UHFFFAOYSA-N
XLogP1.70
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-methoxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 65258033
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
2-(ethylamino)-4-[2-methoxyethyl(propan-2-yl)amino]-2-methylbutanamide
CID 82959553
5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258029
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
CID 65249083
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
2-(ethylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82961131
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
CID 65250610
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 65252580
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide (CID 82951402) is 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCOC)C(C)C.
What is the InChIKey of 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is FKGNPXLKBHELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)15(8-9-16-5)7-6-12(3,4)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14).
What are the key properties of 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 82951402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).