1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine

C11H23NO — CID 79307561

IUPAC1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine
SMILESCCC(N)C1CCOC(C)(CC)C1
InChIInChI=1S/C11H23NO/c1-4-10(12)9-6-7-13-11(3,5-2)8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyWETTYNRDECLEFZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine

1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine (PubChem CID 79307561) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine
PubChem CID79307561
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine
SMILESCCC(N)C1CCOC(C)(CC)C1
InChIInChI=1S/C11H23NO/c1-4-10(12)9-6-7-13-11(3,5-2)8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyWETTYNRDECLEFZ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromopropyl)-2-ethyl-2-methyloxane
CID 79308615
1-(2-ethyl-2-methyloxan-4-yl)ethanol
CID 66439157
1-(2-ethyl-2-methyloxan-4-yl)butan-1-ol
CID 83050928
1-(2,2-dimethyloxan-4-yl)butan-1-amine
CID 83047863
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
2-ethyl-2-methyloxane-4-carbonitrile
CID 12822947
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-chloro-1-[(2S,4R)-2-ethyl-2-methyloxan-4-yl]ethanone
CID 911155
1-(2-ethyl-2-methyloxan-4-yl)-N,4-dimethylpiperidin-4-amine
CID 113282868
(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
CID 107924727
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine?
The IUPAC name of 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine (CID 79307561) is 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine is CCC(N)C1CCOC(C)(CC)C1.
What is the InChIKey of 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine?
The InChIKey is WETTYNRDECLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-10(12)9-6-7-13-11(3,5-2)8-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine?
1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine is sourced from PubChem (CID 79307561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).