5-ethyl-3,4-dihydro-2H-pyran-2-amine

C7H13NO — CID 91531212

IUPAC5-ethyl-3,4-dihydro-2H-pyran-2-amine
SMILESCCC1=COC(N)CC1
InChIInChI=1S/C7H13NO/c1-2-6-3-4-7(8)9-5-6/h5,7H,2-4,8H2,1H3
InChIKeyWBYLZLQRDOKMND-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.38
Rot. Bonds1

About 5-ethyl-3,4-dihydro-2H-pyran-2-amine

5-ethyl-3,4-dihydro-2H-pyran-2-amine (PubChem CID 91531212) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-pyran-2-amine
PubChem CID91531212
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-ethyl-3,4-dihydro-2H-pyran-2-amine
SMILESCCC1=COC(N)CC1
InChIInChI=1S/C7H13NO/c1-2-6-3-4-7(8)9-5-6/h5,7H,2-4,8H2,1H3
InChIKeyWBYLZLQRDOKMND-UHFFFAOYSA-N
XLogP1.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethan-1-amine
CID 104059467
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoropropan-1-amine
CID 104277098
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethan-1-amine
CID 165631659
5-methyl-3,4-dihydro-2H-pyran-2-amine
CID 90932214
5-propan-2-yl-3,4-dihydro-2H-pyran-2-amine
CID 91511758
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
CID 55253636
2-(3,4-dihydro-2H-pyran-5-yl)ethan-1-amine
CID 55254109
1-(3,4-dihydro-2H-pyran-5-yl)ethan-1-amine
CID 104058536
6-Methoxy-3-methylidenehexan-1-amine
CID 117268174
[2-(3,4-dihydro-2H-pyran-5-yl)ethyl](methyl)amine
CID 165625924
(1R)-1-(3,4-dihydro-2H-pyran-5-yl)ethan-1-amine
CID 165628247

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-2H-pyran-2-amine?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-pyran-2-amine (CID 91531212) is 5-ethyl-3,4-dihydro-2H-pyran-2-amine.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-pyran-2-amine?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-pyran-2-amine is CCC1=COC(N)CC1.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-pyran-2-amine?
The InChIKey is WBYLZLQRDOKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-3-4-7(8)9-5-6/h5,7H,2-4,8H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-pyran-2-amine?
5-ethyl-3,4-dihydro-2H-pyran-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 91531212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).