1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine

C12H25NO — CID 79307577

IUPAC1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)C1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-5-11(13-6-2)10-7-8-14-12(3,4)9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyZURKPWMFITXMDE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine

1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine (PubChem CID 79307577) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine
PubChem CID79307577
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)C1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-5-11(13-6-2)10-7-8-14-12(3,4)9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyZURKPWMFITXMDE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethyloxan-4-yl)butan-1-amine
CID 83047863
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
CID 79298060
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine (CID 79307577) is 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine is CCNC(CC)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine?
The InChIKey is ZURKPWMFITXMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11(13-6-2)10-7-8-14-12(3,4)9-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine?
1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79307577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).