2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide

C11H24N4 — CID 62890037

IUPAC2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCC1CN(C)C
InChIInChI=1S/C11H24N4/c1-4-7-13-11(12)15-8-5-6-10(15)9-14(2)3/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyXRYNSIPGCDWAGD-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide

2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 62890037) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
PubChem CID62890037
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCC1CN(C)C
InChIInChI=1S/C11H24N4/c1-4-7-13-11(12)15-8-5-6-10(15)9-14(2)3/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyXRYNSIPGCDWAGD-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide (CID 62890037) is 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\N)N1CCCC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is XRYNSIPGCDWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-7-13-11(12)15-8-5-6-10(15)9-14(2)3/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62890037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).