1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine

C11H21NO2 — CID 105179263

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-2-6-13-8-5-11(12)10-4-3-7-14-9-10/h9,11H,2-8,12H2,1H3
InChIKeyCDVZUEYBMGOZQC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine (PubChem CID 105179263) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine
PubChem CID105179263
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-2-6-13-8-5-11(12)10-4-3-7-14-9-10/h9,11H,2-8,12H2,1H3
InChIKeyCDVZUEYBMGOZQC-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148161
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113780927
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
CID 55253636
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
CID 55255755
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 55255756
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
2-Methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79178834
1-(2-Methoxyethoxy)-5-methylideneheptan-3-amine
CID 102927882
1-(2-Methoxyethoxy)-6-methylhept-6-en-3-amine
CID 102927910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine (CID 105179263) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine is CCCOCCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine?
The InChIKey is CDVZUEYBMGOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-6-13-8-5-11(12)10-4-3-7-14-9-10/h9,11H,2-8,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 6 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)-3-propoxypropan-1-amine is sourced from PubChem (CID 105179263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).