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

C11H25N5 — CID 104882595

IUPACN-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(16)9-15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyXKUMGOUZMURFJN-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.24
Rot. Bonds4

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

N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 104882595) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
PubChem CID104882595
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC NameN-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(16)9-15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyXKUMGOUZMURFJN-UHFFFAOYSA-N
XLogP0.24
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide (CID 104882595) is N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\NN)N1CCCC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is XKUMGOUZMURFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(16)9-15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 227.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).