N-(2-pentoxyethyl)oxan-4-amine

C12H25NO2 — CID 63099879

IUPACN-(2-pentoxyethyl)oxan-4-amine
SMILESCCCCCOCCNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-8-14-11-7-13-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3
InChIKeyHEQILNCZHFHPMY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds8

About N-(2-pentoxyethyl)oxan-4-amine

N-(2-pentoxyethyl)oxan-4-amine (PubChem CID 63099879) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-pentoxyethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-pentoxyethyl)oxan-4-amine
PubChem CID63099879
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-pentoxyethyl)oxan-4-amine
SMILESCCCCCOCCNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-8-14-11-7-13-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3
InChIKeyHEQILNCZHFHPMY-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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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Related Compounds

N-[2-(2-ethoxyethoxy)ethyl]oxan-4-amine
CID 63099695
N-(2-ethoxyethyl)oxan-4-amine
CID 43608661
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-propyloxan-4-amine
CID 18348908
1,4-dioxane;1-pentoxypentane
CID 174356603
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
CID 63098311
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(2-propoxyethyl)cyclohexanamine
CID 62583388

Frequently Asked Questions

What is the IUPAC name of N-(2-pentoxyethyl)oxan-4-amine?
The IUPAC name of N-(2-pentoxyethyl)oxan-4-amine (CID 63099879) is N-(2-pentoxyethyl)oxan-4-amine.
What is the SMILES notation for N-(2-pentoxyethyl)oxan-4-amine?
The canonical SMILES for N-(2-pentoxyethyl)oxan-4-amine is CCCCCOCCNC1CCOCC1.
What is the InChIKey of N-(2-pentoxyethyl)oxan-4-amine?
The InChIKey is HEQILNCZHFHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-8-14-11-7-13-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(2-pentoxyethyl)oxan-4-amine?
N-(2-pentoxyethyl)oxan-4-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentoxyethyl)oxan-4-amine is sourced from PubChem (CID 63099879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).