(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine

C13H19NO2 — CID 115865917

IUPAC(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESC(=C/c1ccco1)\CNCCC1CCCO1
InChIInChI=1S/C13H19NO2/c1(4-12-5-2-10-15-12)8-14-9-7-13-6-3-11-16-13/h1-2,4-5,10,13-14H,3,6-9,11H2/b4-1+
InChIKeyMYVHZVJYYYSLLO-DAFODLJHSA-N
MW221.30 g/mol
LogP2.45
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine

(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 115865917) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID115865917
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
SMILESC(=C/c1ccco1)\CNCCC1CCCO1
InChIInChI=1S/C13H19NO2/c1(4-12-5-2-10-15-12)8-14-9-7-13-6-3-11-16-13/h1-2,4-5,10,13-14H,3,6-9,11H2/b4-1+
InChIKeyMYVHZVJYYYSLLO-DAFODLJHSA-N
XLogP2.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.45
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

N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
(E)-4-[2-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 103242463
2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62339579
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-2-en-1-amine
CID 106546965
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 28734925
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine (CID 115865917) is (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine is C(=C/c1ccco1)\CNCCC1CCCO1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is MYVHZVJYYYSLLO-DAFODLJHSA-N. The full InChI is InChI=1S/C13H19NO2/c1(4-12-5-2-10-15-12)8-14-9-7-13-6-3-11-16-13/h1-2,4-5,10,13-14H,3,6-9,11H2/b4-1+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine?
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 115865917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).