3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine

C13H21NO — CID 105004178

IUPAC3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccc(C)o1
InChIInChI=1S/C13H21NO/c1-5-8-14-12(9-10(2)3)13-7-6-11(4)15-13/h6-7,12,14H,2,5,8-9H2,1,3-4H3
InChIKeyDAGQBUSPDVKZAP-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.59
Rot. Bonds6

About 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine

3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 105004178) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
PubChem CID105004178
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccc(C)o1
InChIInChI=1S/C13H21NO/c1-5-8-14-12(9-10(2)3)13-7-6-11(4)15-13/h6-7,12,14H,2,5,8-9H2,1,3-4H3
InChIKeyDAGQBUSPDVKZAP-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.59
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-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
CID 105004038
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003795
3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
CID 79179129

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine (CID 105004178) is 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)c1ccc(C)o1.
What is the InChIKey of 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is DAGQBUSPDVKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-8-14-12(9-10(2)3)13-7-6-11(4)15-13/h6-7,12,14H,2,5,8-9H2,1,3-4H3.
What are the key properties of 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine?
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).