1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

C13H25NO3 — CID 102928476

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)C1=COCCC1
InChIInChI=1S/C13H25NO3/c1-3-14-13(6-8-16-10-9-15-2)12-5-4-7-17-11-12/h11,13-14H,3-10H2,1-2H3
InChIKeySJWOYDHYLZMFSM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.71
Rot. Bonds9

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102928476) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102928476
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)C1=COCCC1
InChIInChI=1S/C13H25NO3/c1-3-14-13(6-8-16-10-9-15-2)12-5-4-7-17-11-12/h11,13-14H,3-10H2,1-2H3
InChIKeySJWOYDHYLZMFSM-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148624
1-(3,4-dihydro-2H-pyran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148776
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylpropan-1-amine
CID 103149719
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113780927
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-propylpropan-1-amine
CID 113781112
N-ethyl-2-methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179271
2-methyl-1-(oxan-3-yl)-N-propylprop-2-en-1-amine
CID 79179501

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (CID 102928476) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is CCNC(CCOCCOC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is SJWOYDHYLZMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-14-13(6-8-16-10-9-15-2)12-5-4-7-17-11-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102928476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).