1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine

C13H23NO — CID 62346220

IUPAC1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(CC)o1
InChIInChI=1S/C13H23NO/c1-4-6-7-8-12(14-3)13-10-9-11(5-2)15-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyJZSNRYNJNSPYNJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine

1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine (PubChem CID 62346220) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
PubChem CID62346220
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(CC)o1
InChIInChI=1S/C13H23NO/c1-4-6-7-8-12(14-3)13-10-9-11(5-2)15-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyJZSNRYNJNSPYNJ-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.68
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-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
1-(5-ethylfuran-2-yl)octylhydrazine
CID 105293607
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
3-cyclopentyl-1-(5-ethylfuran-2-yl)-N-methylpropan-1-amine
CID 62346393
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
CID 115806207
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
N-ethyl-1-(5-ethylfuran-2-yl)-4-methoxybutan-1-amine
CID 105054918
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine (CID 62346220) is 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine?
The InChIKey is JZSNRYNJNSPYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-7-8-12(14-3)13-10-9-11(5-2)15-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine?
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 62346220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).