3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide

C10H21N3O2 — CID 103534192

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(OC)C(OC)C1
InChIInChI=1S/C10H21N3O2/c1-7(10(11)12)4-13-5-8(14-2)9(6-13)15-3/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyIPQSRNRWGUKBBS-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.10
Rot. Bonds5

About 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide

3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 103534192) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID103534192
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(OC)C(OC)C1
InChIInChI=1S/C10H21N3O2/c1-7(10(11)12)4-13-5-8(14-2)9(6-13)15-3/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyIPQSRNRWGUKBBS-UHFFFAOYSA-N
XLogP-0.10
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide (CID 103534192) is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CC(OC)C(OC)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is IPQSRNRWGUKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(10(11)12)4-13-5-8(14-2)9(6-13)15-3/h7-9H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide?
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 103534192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).