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'}

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Related Compounds

2-[(2,2-Dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370737
3,3,3-Trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370774
2-[(2,4-Dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370833
3-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide
CID 114271861
1-(4-Methylpentyl)pyrrolidin-2-imine
CID 63002444
1-(2,2,4-Trimethylpyrrolidin-1-yl)propan-1-imine
CID 127015329
1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
CID 134398798
1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]propan-1-imine
CID 138723529
1-(2,2-Dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine
CID 155187824
1-Methyl-5-propan-2-ylpyrrolidin-2-imine
CID 166683871
3-[Cyclopentyl(methyl)amino]-2-methylpropanimidamide
CID 43267241
3-[Methyl(2-methylpropyl)amino]pentanimidamide
CID 43272188

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).