N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine

C12H17NO — CID 115859443

IUPACN-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)c1coc(C)c1
InChIInChI=1S/C12H17NO/c1-4-6-7-12(13-5-2)11-8-10(3)14-9-11/h1,8-9,12-13H,5-7H2,2-3H3
InChIKeyWOKKDYYGZYPSRE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.65
Rot. Bonds5

About N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine

N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine (PubChem CID 115859443) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
PubChem CID115859443
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)c1coc(C)c1
InChIInChI=1S/C12H17NO/c1-4-6-7-12(13-5-2)11-8-10(3)14-9-11/h1,8-9,12-13H,5-7H2,2-3H3
InChIKeyWOKKDYYGZYPSRE-UHFFFAOYSA-N
XLogP2.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
N-ethyl-1-(5-methylfuran-3-yl)pent-3-yn-1-amine
CID 115819808
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115840534
N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
CID 113374381
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine (CID 115859443) is N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine is C#CCCC(NCC)c1coc(C)c1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine?
The InChIKey is WOKKDYYGZYPSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-7-12(13-5-2)11-8-10(3)14-9-11/h1,8-9,12-13H,5-7H2,2-3H3.
What are the key properties of N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine?
N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine is sourced from PubChem (CID 115859443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).