N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine

C17H31NO — CID 115831656

IUPACN-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1coc(C)c1
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-17(18-5-2)16-13-15(3)19-14-16/h13-14,17-18H,4-12H2,1-3H3
InChIKeyLNHJDZHIOKJLSU-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.38
Rot. Bonds11

About N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine

N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine (PubChem CID 115831656) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
PubChem CID115831656
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1coc(C)c1
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-17(18-5-2)16-13-15(3)19-14-16/h13-14,17-18H,4-12H2,1-3H3
InChIKeyLNHJDZHIOKJLSU-UHFFFAOYSA-N
XLogP5.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
CID 115859443
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(5-methylfuran-3-yl)pent-3-yn-1-amine
CID 115819808
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine?
The IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine (CID 115831656) is N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine is CCCCCCCCCC(NCC)c1coc(C)c1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine?
The InChIKey is LNHJDZHIOKJLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-17(18-5-2)16-13-15(3)19-14-16/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine?
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 5.38, 11 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)decan-1-amine is sourced from PubChem (CID 115831656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).