2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C12H23NO2 — CID 115741933

IUPAC2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCCCCOCCNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-2-3-7-14-9-6-13-10-12-5-4-8-15-11-12/h5,13H,2-4,6-11H2,1H3
InChIKeyDKHQEXBFIIYEJL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115741933) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115741933
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCCCCOCCNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-2-3-7-14-9-6-13-10-12-5-4-8-15-11-12/h5,13H,2-4,6-11H2,1H3
InChIKeyDKHQEXBFIIYEJL-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
(E)-2-ethyl-N-[2-[(Z,2E)-2-ethylidene-4-methylhex-3-enoxy]ethyl]but-2-en-1-amine
CID 144416470
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
5-ethoxy-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598810
N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine
CID 79598813
N-(2-methoxyethyl)-4-methyl-5-propoxypent-3-en-1-amine
CID 79607074
N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607232
5-ethoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607235
5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607482

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115741933) is 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is CCCCOCCNCC1=CCCOC1.
What is the InChIKey of 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is DKHQEXBFIIYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-7-14-9-6-13-10-12-5-4-8-15-11-12/h5,13H,2-4,6-11H2,1H3.
What are the key properties of 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115741933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).