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

C14H27NO2 — CID 102649291

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)C1=CCCCO1
InChIInChI=1S/C14H27NO2/c1-3-9-15-13(8-12-16-10-4-2)14-7-5-6-11-17-14/h7,13,15H,3-6,8-12H2,1-2H3
InChIKeyQEKOTPXYPPTOAA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds9

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine (PubChem CID 102649291) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
PubChem CID102649291
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)C1=CCCCO1
InChIInChI=1S/C14H27NO2/c1-3-9-15-13(8-12-16-10-4-2)14-7-5-6-11-17-14/h7,13,15H,3-6,8-12H2,1-2H3
InChIKeyQEKOTPXYPPTOAA-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
[1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropyl]hydrazine
CID 102650337
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169804
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102647380
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine (CID 102649291) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine is CCCNC(CCOCCC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine?
The InChIKey is QEKOTPXYPPTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-9-15-13(8-12-16-10-4-2)14-7-5-6-11-17-14/h7,13,15H,3-6,8-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine is sourced from PubChem (CID 102649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).