3-(2-propoxyethyl)oxan-4-amine

C10H21NO2 — CID 106469000

IUPAC3-(2-propoxyethyl)oxan-4-amine
SMILESCCCOCCC1COCCC1N
InChIInChI=1S/C10H21NO2/c1-2-5-12-6-3-9-8-13-7-4-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyJDKFTEUJKLUGDT-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds5

About 3-(2-propoxyethyl)oxan-4-amine

3-(2-propoxyethyl)oxan-4-amine (PubChem CID 106469000) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-propoxyethyl)oxan-4-amine.

Molecular Properties

Compound Name3-(2-propoxyethyl)oxan-4-amine
PubChem CID106469000
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-propoxyethyl)oxan-4-amine
SMILESCCCOCCC1COCCC1N
InChIInChI=1S/C10H21NO2/c1-2-5-12-6-3-9-8-13-7-4-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyJDKFTEUJKLUGDT-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 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 ≤ 51.17
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

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
CID 106469054
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106468961
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
CID 106468983
4-bromo-3-[2-(3-methylbutoxy)ethyl]oxane
CID 106471736
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
3-propoxyoxolane
CID 14071397
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
2-(2-propoxyethyl)cyclopentan-1-ol
CID 79564356

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethyl)oxan-4-amine?
The IUPAC name of 3-(2-propoxyethyl)oxan-4-amine (CID 106469000) is 3-(2-propoxyethyl)oxan-4-amine.
What is the SMILES notation for 3-(2-propoxyethyl)oxan-4-amine?
The canonical SMILES for 3-(2-propoxyethyl)oxan-4-amine is CCCOCCC1COCCC1N.
What is the InChIKey of 3-(2-propoxyethyl)oxan-4-amine?
The InChIKey is JDKFTEUJKLUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-5-12-6-3-9-8-13-7-4-10(9)11/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-(2-propoxyethyl)oxan-4-amine?
3-(2-propoxyethyl)oxan-4-amine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethyl)oxan-4-amine is sourced from PubChem (CID 106469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).