[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine

C14H21NO — CID 106656353

IUPAC[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)/C2=C/CCCCCC2)o1
InChIInChI=1S/C14H21NO/c1-11-9-10-13(16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10,14H,2-6,8,15H2,1H3/b12-7+
InChIKeyYOQYBWBSOKUDCU-KPKJPENVSA-N
MW219.33 g/mol
LogP3.87
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine

[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine (PubChem CID 106656353) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
PubChem CID106656353
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)/C2=C/CCCCCC2)o1
InChIInChI=1S/C14H21NO/c1-11-9-10-13(16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10,14H,2-6,8,15H2,1H3/b12-7+
InChIKeyYOQYBWBSOKUDCU-KPKJPENVSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.87
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

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
N-[[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106656418
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
CID 106656355
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine (CID 106656353) is [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)/C2=C/CCCCCC2)o1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine?
The InChIKey is YOQYBWBSOKUDCU-KPKJPENVSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-9-10-13(16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10,14H,2-6,8,15H2,1H3/b12-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine?
[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 106656353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).