N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine

C9H17NO2 — CID 170083666

IUPACN-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCOCCCNC1C=CCOC1
InChIInChI=1S/C9H17NO2/c1-11-6-3-5-10-9-4-2-7-12-8-9/h2,4,9-10H,3,5-8H2,1H3
InChIKeyXUDCKPAJYWPOEH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.57
Rot. Bonds5

About N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine

N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine (PubChem CID 170083666) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
PubChem CID170083666
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCOCCCNC1C=CCOC1
InChIInChI=1S/C9H17NO2/c1-11-6-3-5-10-9-4-2-7-12-8-9/h2,4,9-10H,3,5-8H2,1H3
InChIKeyXUDCKPAJYWPOEH-UHFFFAOYSA-N
XLogP0.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine (CID 170083666) is N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine is COCCCNC1C=CCOC1.
What is the InChIKey of N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is XUDCKPAJYWPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-6-3-5-10-9-4-2-7-12-8-9/h2,4,9-10H,3,5-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine?
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 171.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 170083666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).