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

C10H21N3O — CID 66052430

IUPAC5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\CC)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H21N3O/c1-4-10(11)13-7-9(14)5-8(13)6-12(2)3/h8-9,11,14H,4-7H2,1-3H3/b11-10+
InChIKeyFYDTYRKPSPBHMS-ZHACJKMWSA-N
MW199.30 g/mol
LogP0.37
Rot. Bonds3

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

5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol (PubChem CID 66052430) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol
PubChem CID66052430
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\CC)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H21N3O/c1-4-10(11)13-7-9(14)5-8(13)6-12(2)3/h8-9,11,14H,4-7H2,1-3H3/b11-10+
InChIKeyFYDTYRKPSPBHMS-ZHACJKMWSA-N
XLogP0.37
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.37
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-propanimidoylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol (CID 66052430) is 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol is [H]/N=C(\CC)N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol?
The InChIKey is FYDTYRKPSPBHMS-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-10(11)13-7-9(14)5-8(13)6-12(2)3/h8-9,11,14H,4-7H2,1-3H3/b11-10+.
What are the key properties of 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol has a molecular weight of 199.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 66052430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).