N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine

C9H19NO2 — CID 63557431

IUPACN-[2-(oxolan-3-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOC1CCOC1
InChIInChI=1S/C9H19NO2/c1-8(2)10-4-6-12-9-3-5-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyFFXMILJWVYXXFH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine

N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine (PubChem CID 63557431) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yloxy)ethyl]propan-2-amine
PubChem CID63557431
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[2-(oxolan-3-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOC1CCOC1
InChIInChI=1S/C9H19NO2/c1-8(2)10-4-6-12-9-3-5-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyFFXMILJWVYXXFH-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine (CID 63557431) is N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine is CC(C)NCCOC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine?
The InChIKey is FFXMILJWVYXXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10-4-6-12-9-3-5-11-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine?
N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 63557431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).