1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C13H25N3O — CID 66051848

IUPAC1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CCCC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C13H25N3O/c1-15(2)8-11-7-12(17)9-16(11)13(14)10-5-3-4-6-10/h10-12,14,17H,3-9H2,1-2H3/b14-13+
InChIKeyRNLLXAHHOHCVHX-BUHFOSPRSA-N
MW239.36 g/mol
LogP1.15
Rot. Bonds3

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

1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66051848) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66051848
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CCCC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C13H25N3O/c1-15(2)8-11-7-12(17)9-16(11)13(14)10-5-3-4-6-10/h10-12,14,17H,3-9H2,1-2H3/b14-13+
InChIKeyRNLLXAHHOHCVHX-BUHFOSPRSA-N
XLogP1.15
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.15
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'}

Analyze 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66051848) is 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is [H]/N=C(\C1CCCC1)N1CC(O)CC1CN(C)C.
What is the InChIKey of 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is RNLLXAHHOHCVHX-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)8-11-7-12(17)9-16(11)13(14)10-5-3-4-6-10/h10-12,14,17H,3-9H2,1-2H3/b14-13+.
What are the key properties of 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).