3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide

C10H21N3 — CID 63219822

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCC1(C)C
InChIInChI=1S/C10H21N3/c1-8(9(11)12)7-13-6-4-5-10(13,2)3/h8H,4-7H2,1-3H3,(H3,11,12)
InChIKeyJQVFKERTJYCCGN-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.43
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide

3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 63219822) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID63219822
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCC1(C)C
InChIInChI=1S/C10H21N3/c1-8(9(11)12)7-13-6-4-5-10(13,2)3/h8H,4-7H2,1-3H3,(H3,11,12)
InChIKeyJQVFKERTJYCCGN-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide (CID 63219822) is 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCCC1(C)C.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is JQVFKERTJYCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(9(11)12)7-13-6-4-5-10(13,2)3/h8H,4-7H2,1-3H3,(H3,11,12).
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide?
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 63219822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).