1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine

C14H27NO2 — CID 105179221

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1=COCCC1
InChIInChI=1S/C14H27NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyAOFRWKCKCJFZIE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds8

About 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105179221) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105179221
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1=COCCC1
InChIInChI=1S/C14H27NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyAOFRWKCKCJFZIE-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine (CID 105179221) is 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is AOFRWKCKCJFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.86, 8 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-5-yl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105179221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).