1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

C12H27N3O — CID 62991874

IUPAC1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCCN1CCCC1
InChIInChI=1S/C12H27N3O/c1-14(2)11-12(16)10-13-6-5-9-15-7-3-4-8-15/h12-13,16H,3-11H2,1-2H3
InChIKeyRYQMYAQSHLDGCT-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds8

About 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (PubChem CID 62991874) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
PubChem CID62991874
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCCN1CCCC1
InChIInChI=1S/C12H27N3O/c1-14(2)11-12(16)10-13-6-5-9-15-7-3-4-8-15/h12-13,16H,3-11H2,1-2H3
InChIKeyRYQMYAQSHLDGCT-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (CID 62991874) is 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is CN(C)CC(O)CNCCCN1CCCC1.
What is the InChIKey of 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The InChIKey is RYQMYAQSHLDGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-14(2)11-12(16)10-13-6-5-9-15-7-3-4-8-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 62991874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).