(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine

C13H23NO2 — CID 102648238

IUPAC(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)C1=CCCCO1
InChIInChI=1S/C13H23NO2/c1-12(13-7-3-4-10-16-13)6-5-8-14-9-11-15-2/h6-7,14H,3-5,8-11H2,1-2H3/b12-6-
InChIKeyZOTGVVQDMXULIW-SDQBBNPISA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds7

About (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine

(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 102648238) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID102648238
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)C1=CCCCO1
InChIInChI=1S/C13H23NO2/c1-12(13-7-3-4-10-16-13)6-5-8-14-9-11-15-2/h6-7,14H,3-5,8-11H2,1-2H3/b12-6-
InChIKeyZOTGVVQDMXULIW-SDQBBNPISA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 130243306
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CID 141978555
2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867916
3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine
CID 176701266
N-[(2,6-dimethoxybenzene-4-id-1-yl)methyl]-2-(2-propoxyethoxy)ethanamine;tungsten
CID 57846858
3,4,5,7-tetrahydro-2H-1,4-benzoxazepin-7-ide;yttrium
CID 59586494
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
2-(2-Cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
CID 89009955
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 123211623
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 102648238) is (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C(/C)C1=CCCCO1.
What is the InChIKey of (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is ZOTGVVQDMXULIW-SDQBBNPISA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(13-7-3-4-10-16-13)6-5-8-14-9-11-15-2/h6-7,14H,3-5,8-11H2,1-2H3/b12-6-.
What are the key properties of (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 102648238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).