2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide

C11H22N4 — CID 154969069

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide
SMILESC=C/N=C(\N)C(C)N1CC[C@H](N(C)C)C1
InChIInChI=1S/C11H22N4/c1-5-13-11(12)9(2)15-7-6-10(8-15)14(3)4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeySHYNIBRWAIORTH-AXDSSHIGSA-N
MW210.32 g/mol
LogP0.51
Rot. Bonds4

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide (PubChem CID 154969069) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide
PubChem CID154969069
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide
SMILESC=C/N=C(\N)C(C)N1CC[C@H](N(C)C)C1
InChIInChI=1S/C11H22N4/c1-5-13-11(12)9(2)15-7-6-10(8-15)14(3)4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeySHYNIBRWAIORTH-AXDSSHIGSA-N
XLogP0.51
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
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 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide (CID 154969069) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide is C=C/N=C(\N)C(C)N1CC[C@H](N(C)C)C1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide?
The InChIKey is SHYNIBRWAIORTH-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-13-11(12)9(2)15-7-6-10(8-15)14(3)4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13)/t9?,10-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide has a molecular weight of 210.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N'-ethenylpropanimidamide is sourced from PubChem (CID 154969069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).