N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine

C13H27NO2 — CID 107138944

IUPACN-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-3-8-15-10-7-13(14-4-2)12-6-5-9-16-11-12/h12-14H,3-11H2,1-2H3
InChIKeyZGMYNCWBMRVOTH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine

N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine (PubChem CID 107138944) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
PubChem CID107138944
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-3-8-15-10-7-13(14-4-2)12-6-5-9-16-11-12/h12-14H,3-11H2,1-2H3
InChIKeyZGMYNCWBMRVOTH-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
CID 107137018
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 107139110
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine (CID 107138944) is N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine is CCCOCCC(NCC)C1CCCOC1.
What is the InChIKey of N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine?
The InChIKey is ZGMYNCWBMRVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-8-15-10-7-13(14-4-2)12-6-5-9-16-11-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine?
N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 107138944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).