(1S)-1-(furan-2-yl)octan-1-amine

C12H21NO — CID 98686139

IUPAC(1S)-1-(furan-2-yl)octan-1-amine
SMILESCCCCCCC[C@H](N)c1ccco1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3/t11-/m0/s1
InChIKeyGDTWUWOSGLBRHW-NSHDSACASA-N
MW195.31 g/mol
LogP3.64
Rot. Bonds7

About (1S)-1-(furan-2-yl)octan-1-amine

(1S)-1-(furan-2-yl)octan-1-amine (PubChem CID 98686139) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)octan-1-amine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)octan-1-amine
PubChem CID98686139
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S)-1-(furan-2-yl)octan-1-amine
SMILESCCCCCCC[C@H](N)c1ccco1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3/t11-/m0/s1
InChIKeyGDTWUWOSGLBRHW-NSHDSACASA-N
XLogP3.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-(furan-2-yl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)decan-1-amine
CID 62716123
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
2-(furan-2-yl)tridecanal
CID 175449616
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006
1-phenyldecan-1-amine
CID 43175860
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)octan-1-amine?
The IUPAC name of (1S)-1-(furan-2-yl)octan-1-amine (CID 98686139) is (1S)-1-(furan-2-yl)octan-1-amine.
What is the SMILES notation for (1S)-1-(furan-2-yl)octan-1-amine?
The canonical SMILES for (1S)-1-(furan-2-yl)octan-1-amine is CCCCCCC[C@H](N)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)octan-1-amine?
The InChIKey is GDTWUWOSGLBRHW-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)octan-1-amine?
(1S)-1-(furan-2-yl)octan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)octan-1-amine is sourced from PubChem (CID 98686139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).