(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine

C12H21NO — CID 171233167

IUPAC(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(CC)o1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-11(13)12-9-8-10(4-2)14-12/h8-9,11H,3-7,13H2,1-2H3/t11-/m0/s1
InChIKeyGWXYYQJYSUVCAX-NSHDSACASA-N
MW195.31 g/mol
LogP3.42
Rot. Bonds6

About (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine

(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine (PubChem CID 171233167) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
PubChem CID171233167
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc(CC)o1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-11(13)12-9-8-10(4-2)14-12/h8-9,11H,3-7,13H2,1-2H3/t11-/m0/s1
InChIKeyGWXYYQJYSUVCAX-NSHDSACASA-N
XLogP3.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.42
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

(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
1-(5-ethylfuran-2-yl)octylhydrazine
CID 105293607
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
CID 62346220
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine?
The IUPAC name of (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine (CID 171233167) is (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine?
The canonical SMILES for (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine is CCCCC[C@H](N)c1ccc(CC)o1.
What is the InChIKey of (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine?
The InChIKey is GWXYYQJYSUVCAX-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-11(13)12-9-8-10(4-2)14-12/h8-9,11H,3-7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine?
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethylfuran-2-yl)hexan-1-amine is sourced from PubChem (CID 171233167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).