5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol

C12H25N3O — CID 66053009

IUPAC5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C(/N1CC(O)CC1CN(C)C)C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)11(13)15-8-10(16)6-9(15)7-14(4)5/h9-10,13,16H,6-8H2,1-5H3/b13-11+
InChIKeySBKMUFSUYGYDIZ-ACCUITESSA-N
MW227.35 g/mol
LogP1.01
Rot. Bonds2

About 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol (PubChem CID 66053009) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
PubChem CID66053009
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C(/N1CC(O)CC1CN(C)C)C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)11(13)15-8-10(16)6-9(15)7-14(4)5/h9-10,13,16H,6-8H2,1-5H3/b13-11+
InChIKeySBKMUFSUYGYDIZ-ACCUITESSA-N
XLogP1.01
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.01
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 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol (CID 66053009) is 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol is [H]/N=C(/N1CC(O)CC1CN(C)C)C(C)(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
The InChIKey is SBKMUFSUYGYDIZ-ACCUITESSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)11(13)15-8-10(16)6-9(15)7-14(4)5/h9-10,13,16H,6-8H2,1-5H3/b13-11+.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol is sourced from PubChem (CID 66053009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).