3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide

C11H25N3O — CID 103033932

IUPAC3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCC(C)(C)OC
InChIInChI=1S/C11H25N3O/c1-9(10(12)13)8-14(4)7-6-11(2,3)15-5/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyCHVBNJRPAGZCNJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.31
Rot. Bonds7

About 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide

3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide (PubChem CID 103033932) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide
PubChem CID103033932
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCC(C)(C)OC
InChIInChI=1S/C11H25N3O/c1-9(10(12)13)8-14(4)7-6-11(2,3)15-5/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyCHVBNJRPAGZCNJ-UHFFFAOYSA-N
XLogP1.31
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide (CID 103033932) is 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CCC(C)(C)OC.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide?
The InChIKey is CHVBNJRPAGZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(10(12)13)8-14(4)7-6-11(2,3)15-5/h9H,6-8H2,1-5H3,(H3,12,13).
What are the key properties of 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide?
3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 103033932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).