(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine

C12H21NO2 — CID 79336968

IUPAC(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-11(10-13-6-8-14-2)9-12-5-3-4-7-15-12/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3/b11-9+
InChIKeyYOYLZGHJWBVRGR-PKNBQFBNSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds6

About (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine

(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (PubChem CID 79336968) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
PubChem CID79336968
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-11(10-13-6-8-14-2)9-12-5-3-4-7-15-12/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3/b11-9+
InChIKeyYOYLZGHJWBVRGR-PKNBQFBNSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
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

(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
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
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79328688
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
CID 79329235
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
CID 79329300
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-methylbutan-1-amine
CID 79329739
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propylbutan-1-amine
CID 79329893
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329906
N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine
CID 79329918

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (CID 79336968) is (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is COCCNC/C(C)=C/C1CCC=CO1.
What is the InChIKey of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The InChIKey is YOYLZGHJWBVRGR-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(10-13-6-8-14-2)9-12-5-3-4-7-15-12/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3/b11-9+.
What are the key properties of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79336968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).