2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine

C13H25NO3 — CID 62582727

IUPAC2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESC(COCC1CCOCC1)NCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-5-15-6-2-12(1)10-17-8-4-14-9-13-3-7-16-11-13/h12-14H,1-11H2
InChIKeyCRBJZUIXPBPLQI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.06
Rot. Bonds7

About 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62582727) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62582727
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESC(COCC1CCOCC1)NCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-5-15-6-2-12(1)10-17-8-4-14-9-13-3-7-16-11-13/h12-14H,1-11H2
InChIKeyCRBJZUIXPBPLQI-UHFFFAOYSA-N
XLogP1.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62582727) is 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine is C(COCC1CCOCC1)NCC1CCOC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is CRBJZUIXPBPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-15-6-2-12(1)10-17-8-4-14-9-13-3-7-16-11-13/h12-14H,1-11H2.
What are the key properties of 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62582727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).