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

C13H21NO2 — CID 115865959

IUPAC(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
SMILESCC(C)COCCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO2/c1-12(2)11-15-10-8-14-7-3-5-13-6-4-9-16-13/h3-6,9,12,14H,7-8,10-11H2,1-2H3/b5-3+
InChIKeyZQIANDJUMNKUJH-HWKANZROSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds8

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

(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine (PubChem CID 115865959) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
PubChem CID115865959
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
SMILESCC(C)COCCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO2/c1-12(2)11-15-10-8-14-7-3-5-13-6-4-9-16-13/h3-6,9,12,14H,7-8,10-11H2,1-2H3/b5-3+
InChIKeyZQIANDJUMNKUJH-HWKANZROSA-N
XLogP2.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
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
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
CID 115866073
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
CID 115865995
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine (CID 115865959) is (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine is CC(C)COCCNC/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine?
The InChIKey is ZQIANDJUMNKUJH-HWKANZROSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2)11-15-10-8-14-7-3-5-13-6-4-9-16-13/h3-6,9,12,14H,7-8,10-11H2,1-2H3/b5-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine?
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.56, 8 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-(2-methylpropoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 115865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).