N-ethyl-2-(2H-pyran-6-yl)ethanamine

C9H15NO — CID 139471600

IUPACN-ethyl-2-(2H-pyran-6-yl)ethanamine
SMILESCCNCCC1=CC=CCO1
InChIInChI=1S/C9H15NO/c1-2-10-7-6-9-5-3-4-8-11-9/h3-5,10H,2,6-8H2,1H3
InChIKeyGAEXYDNYSIJHEF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds4

About N-ethyl-2-(2H-pyran-6-yl)ethanamine

N-ethyl-2-(2H-pyran-6-yl)ethanamine (PubChem CID 139471600) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-ethyl-2-(2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2H-pyran-6-yl)ethanamine
PubChem CID139471600
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-ethyl-2-(2H-pyran-6-yl)ethanamine
SMILESCCNCCC1=CC=CCO1
InChIInChI=1S/C9H15NO/c1-2-10-7-6-9-5-3-4-8-11-9/h3-5,10H,2,6-8H2,1H3
InChIKeyGAEXYDNYSIJHEF-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine
CID 163929275
2-(2H-pyran-6-yl)ethanamine
CID 53908494
5-Ethyl-2,3,4,5-tetrahydrofuro[3,2-b]pyridine
CID 68030634
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
3-[(3E)-hexa-1,3-dien-3-yl]oxypropan-1-amine
CID 130283045
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
3-Cyclohexa-1,5-dien-1-yloxypropan-1-amine
CID 134526914

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2H-pyran-6-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2H-pyran-6-yl)ethanamine (CID 139471600) is N-ethyl-2-(2H-pyran-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2H-pyran-6-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2H-pyran-6-yl)ethanamine is CCNCCC1=CC=CCO1.
What is the InChIKey of N-ethyl-2-(2H-pyran-6-yl)ethanamine?
The InChIKey is GAEXYDNYSIJHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-7-6-9-5-3-4-8-11-9/h3-5,10H,2,6-8H2,1H3.
What are the key properties of N-ethyl-2-(2H-pyran-6-yl)ethanamine?
N-ethyl-2-(2H-pyran-6-yl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 139471600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).