N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine

C11H17NO — CID 105004467

IUPACN,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1coc(C)c1
InChIInChI=1S/C11H17NO/c1-8(2)5-11(12-4)10-6-9(3)13-7-10/h5-7,11-12H,1-4H3
InChIKeyJUAWUSDWNMEMRM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.81
Rot. Bonds3

About N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine

N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine (PubChem CID 105004467) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine
PubChem CID105004467
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1coc(C)c1
InChIInChI=1S/C11H17NO/c1-8(2)5-11(12-4)10-6-9(3)13-7-10/h5-7,11-12H,1-4H3
InChIKeyJUAWUSDWNMEMRM-UHFFFAOYSA-N
XLogP2.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.81
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

1-(5-iodothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004525
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004605
1-(5-chlorothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 131207429
N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 115854212
N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
CID 105163326
1-(5-methylfuran-3-yl)ethanol
CID 112692743
1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004391
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115851517
N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
CID 79190730
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
CID 105163290

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine (CID 105004467) is N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine is CNC(C=C(C)C)c1coc(C)c1.
What is the InChIKey of N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine?
The InChIKey is JUAWUSDWNMEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)5-11(12-4)10-6-9(3)13-7-10/h5-7,11-12H,1-4H3.
What are the key properties of N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine?
N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(5-methylfuran-3-yl)but-2-en-1-amine is sourced from PubChem (CID 105004467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).