2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine

C14H29NO2 — CID 65047538

IUPAC2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(NC(COC)C(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-6-14(4)9-12(7-8-17-14)15-13(10-16-5)11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyOBKXYQRHKAKSOW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds6

About 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine

2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine (PubChem CID 65047538) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine
PubChem CID65047538
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(NC(COC)C(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-6-14(4)9-12(7-8-17-14)15-13(10-16-5)11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyOBKXYQRHKAKSOW-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine?
The IUPAC name of 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine (CID 65047538) is 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine.
What is the SMILES notation for 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine?
The canonical SMILES for 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine is CCC1(C)CC(NC(COC)C(C)C)CCO1.
What is the InChIKey of 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine?
The InChIKey is OBKXYQRHKAKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-14(4)9-12(7-8-17-14)15-13(10-16-5)11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine?
2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine is sourced from PubChem (CID 65047538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).