1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

C14H27NO3 — CID 102928610

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1=CCCCO1
InChIInChI=1S/C14H27NO3/c1-3-8-15-13(7-10-17-12-11-16-2)14-6-4-5-9-18-14/h6,13,15H,3-5,7-12H2,1-2H3
InChIKeyVCJINVAAKHSQEZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.10
Rot. Bonds10

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (PubChem CID 102928610) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
PubChem CID102928610
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1=CCCCO1
InChIInChI=1S/C14H27NO3/c1-3-8-15-13(7-10-17-12-11-16-2)14-6-4-5-9-18-14/h6,13,15H,3-5,7-12H2,1-2H3
InChIKeyVCJINVAAKHSQEZ-UHFFFAOYSA-N
XLogP2.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (CID 102928610) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is CCCNC(CCOCCOC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is VCJINVAAKHSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-8-15-13(7-10-17-12-11-16-2)14-6-4-5-9-18-14/h6,13,15H,3-5,7-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 2.10, 10 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-6-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 102928610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).