N-[2-(oxan-2-yloxy)ethyl]propan-2-amine

C10H21NO2 — CID 20717339

IUPACN-[2-(oxan-2-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOC1CCCCO1
InChIInChI=1S/C10H21NO2/c1-9(2)11-6-8-13-10-5-3-4-7-12-10/h9-11H,3-8H2,1-2H3
InChIKeyNMRVFJJWTUHXEQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds5

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

N-[2-(oxan-2-yloxy)ethyl]propan-2-amine (PubChem CID 20717339) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[2-(oxan-2-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(oxan-2-yloxy)ethyl]propan-2-amine
PubChem CID20717339
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[2-(oxan-2-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOC1CCCCO1
InChIInChI=1S/C10H21NO2/c1-9(2)11-6-8-13-10-5-3-4-7-12-10/h9-11H,3-8H2,1-2H3
InChIKeyNMRVFJJWTUHXEQ-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
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-(oxan-2-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(oxan-2-yloxy)ethyl]propan-2-amine (CID 20717339) is N-[2-(oxan-2-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(oxan-2-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(oxan-2-yloxy)ethyl]propan-2-amine is CC(C)NCCOC1CCCCO1.
What is the InChIKey of N-[2-(oxan-2-yloxy)ethyl]propan-2-amine?
The InChIKey is NMRVFJJWTUHXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)11-6-8-13-10-5-3-4-7-12-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[2-(oxan-2-yloxy)ethyl]propan-2-amine?
N-[2-(oxan-2-yloxy)ethyl]propan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 20717339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).