N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine

C13H21NO2 — CID 115866073

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC/C=C/c1ccco1)C(C)C
InChIInChI=1S/C13H21NO2/c1-11(2)13(10-15-3)14-8-4-6-12-7-5-9-16-12/h4-7,9,11,13-14H,8,10H2,1-3H3/b6-4+
InChIKeyLEPBEPNQPFOZAB-GQCTYLIASA-N
MW223.32 g/mol
LogP2.55
Rot. Bonds7

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 115866073) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID115866073
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC/C=C/c1ccco1)C(C)C
InChIInChI=1S/C13H21NO2/c1-11(2)13(10-15-3)14-8-4-6-12-7-5-9-16-12/h4-7,9,11,13-14H,8,10H2,1-3H3/b6-4+
InChIKeyLEPBEPNQPFOZAB-GQCTYLIASA-N
XLogP2.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
CID 115866050
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine
CID 115866039
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
2-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-4-methylsulfanylbutan-1-ol
CID 115866123
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine (CID 115866073) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine is COCC(NC/C=C/c1ccco1)C(C)C.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is LEPBEPNQPFOZAB-GQCTYLIASA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)13(10-15-3)14-8-4-6-12-7-5-9-16-12/h4-7,9,11,13-14H,8,10H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 115866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).