3-[(3-methoxypropylamino)methyl]oxolan-3-ol

C9H19NO3 — CID 106100465

IUPAC3-[(3-methoxypropylamino)methyl]oxolan-3-ol
SMILESCOCCCNCC1(O)CCOC1
InChIInChI=1S/C9H19NO3/c1-12-5-2-4-10-7-9(11)3-6-13-8-9/h10-11H,2-8H2,1H3
InChIKeyDNWISJWRMARBJA-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.24
Rot. Bonds6

About 3-[(3-methoxypropylamino)methyl]oxolan-3-ol

3-[(3-methoxypropylamino)methyl]oxolan-3-ol (PubChem CID 106100465) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(3-methoxypropylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3-methoxypropylamino)methyl]oxolan-3-ol
PubChem CID106100465
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(3-methoxypropylamino)methyl]oxolan-3-ol
SMILESCOCCCNCC1(O)CCOC1
InChIInChI=1S/C9H19NO3/c1-12-5-2-4-10-7-9(11)3-6-13-8-9/h10-11H,2-8H2,1H3
InChIKeyDNWISJWRMARBJA-UHFFFAOYSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.24
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 3-[(3-methoxypropylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3-methoxypropylamino)methyl]oxolan-3-ol (CID 106100465) is 3-[(3-methoxypropylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3-methoxypropylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3-methoxypropylamino)methyl]oxolan-3-ol is COCCCNCC1(O)CCOC1.
What is the InChIKey of 3-[(3-methoxypropylamino)methyl]oxolan-3-ol?
The InChIKey is DNWISJWRMARBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-12-5-2-4-10-7-9(11)3-6-13-8-9/h10-11H,2-8H2,1H3.
What are the key properties of 3-[(3-methoxypropylamino)methyl]oxolan-3-ol?
3-[(3-methoxypropylamino)methyl]oxolan-3-ol has a molecular weight of 189.25 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypropylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).