3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine

C12H19NO — CID 114449148

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNC(C)c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-9(2)7-8-13-11(4)12-6-5-10(3)14-12/h5-6,11,13H,1,7-8H2,2-4H3
InChIKeyIXNRDEBRDPDPMY-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.20
Rot. Bonds5

About 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine (PubChem CID 114449148) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
PubChem CID114449148
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNC(C)c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-9(2)7-8-13-11(4)12-6-5-10(3)14-12/h5-6,11,13H,1,7-8H2,2-4H3
InChIKeyIXNRDEBRDPDPMY-UHFFFAOYSA-N
XLogP3.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 81093076
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931631
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine (CID 114449148) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine is C=C(C)CCNC(C)c1ccc(C)o1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is IXNRDEBRDPDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-8-13-11(4)12-6-5-10(3)14-12/h5-6,11,13H,1,7-8H2,2-4H3.
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 114449148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).