2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide

C12H26N4O — CID 66053575

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N4O/c1-9(2)6-14-12(13)16-8-11(17)5-10(16)7-15(3)4/h9-11,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyOWUXTZGPZJPJNY-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.05
Rot. Bonds4

About 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide

2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 66053575) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID66053575
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H26N4O/c1-9(2)6-14-12(13)16-8-11(17)5-10(16)7-15(3)4/h9-11,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyOWUXTZGPZJPJNY-UHFFFAOYSA-N
XLogP-0.05
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 66053575) is 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is CC(C)C/N=C(\N)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is OWUXTZGPZJPJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(2)6-14-12(13)16-8-11(17)5-10(16)7-15(3)4/h9-11,17H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 66053575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).