N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine

C8H15NO — CID 130857428

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine
SMILESCCNCC1=CCOCC1
InChIInChI=1S/C8H15NO/c1-2-9-7-8-3-5-10-6-4-8/h3,9H,2,4-7H2,1H3
InChIKeyUTBREUWURIOXMQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine

N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine (PubChem CID 130857428) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine
PubChem CID130857428
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine
SMILESCCNCC1=CCOCC1
InChIInChI=1S/C8H15NO/c1-2-9-7-8-3-5-10-6-4-8/h3,9H,2,4-7H2,1H3
InChIKeyUTBREUWURIOXMQ-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine (CID 130857428) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine is CCNCC1=CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine?
The InChIKey is UTBREUWURIOXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-7-8-3-5-10-6-4-8/h3,9H,2,4-7H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine is sourced from PubChem (CID 130857428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).