butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine

C12H21NO — CID 142079105

IUPACbutane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
SMILESCCCC.CNC/C=C/c1ccco1
InChIInChI=1S/C8H11NO.C4H10/c1-9-6-2-4-8-5-3-7-10-8;1-3-4-2/h2-5,7,9H,6H2,1H3;3-4H2,1-2H3/b4-2+;
InChIKeyDFGHLGFWHXXUCN-VEELZWTKSA-N
MW195.31 g/mol
LogP3.32
Rot. Bonds4

About butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine

butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine (PubChem CID 142079105) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Namebutane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
PubChem CID142079105
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namebutane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
SMILESCCCC.CNC/C=C/c1ccco1
InChIInChI=1S/C8H11NO.C4H10/c1-9-6-2-4-8-5-3-7-10-8;1-3-4-2/h2-5,7,9H,6H2,1H3;3-4H2,1-2H3/b4-2+;
InChIKeyDFGHLGFWHXXUCN-VEELZWTKSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
2-tridec-1-enylfuran
CID 76580057
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
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
(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]but-3-en-2-amine
CID 115866111
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
CID 115866050

Frequently Asked Questions

What is the IUPAC name of butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine (CID 142079105) is butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine is CCCC.CNC/C=C/c1ccco1.
What is the InChIKey of butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine?
The InChIKey is DFGHLGFWHXXUCN-VEELZWTKSA-N. The full InChI is InChI=1S/C8H11NO.C4H10/c1-9-6-2-4-8-5-3-7-10-8;1-3-4-2/h2-5,7,9H,6H2,1H3;3-4H2,1-2H3/b4-2+;.
What are the key properties of butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine?
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 142079105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).