5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol

C9H19N3O — CID 66052816

IUPAC5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C9H19N3O/c1-7(10)12-6-9(13)4-8(12)5-11(2)3/h8-10,13H,4-6H2,1-3H3/b10-7+
InChIKeyHKZGRHJUWBXXOW-JXMROGBWSA-N
MW185.27 g/mol
LogP-0.02
Rot. Bonds2

About 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol (PubChem CID 66052816) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol
PubChem CID66052816
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C9H19N3O/c1-7(10)12-6-9(13)4-8(12)5-11(2)3/h8-10,13H,4-6H2,1-3H3/b10-7+
InChIKeyHKZGRHJUWBXXOW-JXMROGBWSA-N
XLogP-0.02
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.02
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-ethanimidoylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol (CID 66052816) is 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol is [H]/N=C(\C)N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol?
The InChIKey is HKZGRHJUWBXXOW-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)12-6-9(13)4-8(12)5-11(2)3/h8-10,13H,4-6H2,1-3H3/b10-7+.
What are the key properties of 5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol has a molecular weight of 185.27 g/mol, XLogP of -0.02, 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-ethanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 66052816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).