1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine

C13H27NO2 — CID 107896923

IUPAC1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1(OCC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyTUXJSLSATBCAIO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine

1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine (PubChem CID 107896923) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
PubChem CID107896923
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1(OCC)CCOCC1
InChIInChI=1S/C13H27NO2/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11-12H,4-10,14H2,1-3H3
InChIKeyTUXJSLSATBCAIO-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
[1-(4-ethoxyoxan-4-yl)-2-methylbutyl]hydrazine
CID 105276914
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
[1-(4-ethoxyoxan-4-yl)-3-methylhexyl]hydrazine
CID 105276851
[1-(1-ethoxycyclopentyl)-2-methylpentyl]hydrazine
CID 107895362
1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
CID 116765540
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine (CID 107896923) is 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine is CCCC(C)C(N)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine?
The InChIKey is TUXJSLSATBCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine?
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 107896923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).