N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine

C13H27NO2 — CID 107139180

IUPACN-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-4-14-13(8-7-11(2)15-3)12-6-5-9-16-10-12/h11-14H,4-10H2,1-3H3
InChIKeyDIMZZJLQRAZSGN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine

N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine (PubChem CID 107139180) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine
PubChem CID107139180
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-4-14-13(8-7-11(2)15-3)12-6-5-9-16-10-12/h11-14H,4-10H2,1-3H3
InChIKeyDIMZZJLQRAZSGN-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
CID 103025141
3-methoxy-N,3-dimethyl-1-(oxan-4-yl)butan-1-amine
CID 103027181
N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yl)butan-1-amine
CID 103027183
N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 103028542
3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 103028543
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028564
N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028606
3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028610
N-ethyl-3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028611
3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 103028612
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028613
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine (CID 107139180) is N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine is CCNC(CCC(C)OC)C1CCCOC1.
What is the InChIKey of N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine?
The InChIKey is DIMZZJLQRAZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-14-13(8-7-11(2)15-3)12-6-5-9-16-10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine?
N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine is sourced from PubChem (CID 107139180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).