N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine

C12H19NO — CID 104987535

IUPACN-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-4-6-7-11(13-5-2)12-9-8-10(3)14-12/h4,8-9,11,13H,1,5-7H2,2-3H3
InChIKeyZOUZSSRNNRDUII-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine

N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine (PubChem CID 104987535) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine
PubChem CID104987535
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-4-6-7-11(13-5-2)12-9-8-10(3)14-12/h4,8-9,11,13H,1,5-7H2,2-3H3
InChIKeyZOUZSSRNNRDUII-UHFFFAOYSA-N
XLogP3.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848432
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
1-(3,5-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107975611
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine (CID 104987535) is N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine is C=CCCC(NCC)c1ccc(C)o1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine?
The InChIKey is ZOUZSSRNNRDUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-7-11(13-5-2)12-9-8-10(3)14-12/h4,8-9,11,13H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine?
N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.20, 6 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-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 104987535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).