N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine

C14H21NO — CID 62079984

IUPACN-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1cc(C)oc1C
InChIInChI=1S/C14H21NO/c1-4-15-14(12-7-5-6-8-12)13-9-10(2)16-11(13)3/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyNMJNQDJUFUQKAL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.66
Rot. Bonds4

About N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine

N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine (PubChem CID 62079984) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
PubChem CID62079984
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1cc(C)oc1C
InChIInChI=1S/C14H21NO/c1-4-15-14(12-7-5-6-8-12)13-9-10(2)16-11(13)3/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyNMJNQDJUFUQKAL-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.66
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

N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
CID 62078356
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[cycloocten-1-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106656476
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(5-bromo-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methyl]ethanamine
CID 79981880

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine (CID 62079984) is N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine is CCNC(C1=CCCC1)c1cc(C)oc1C.
What is the InChIKey of N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is NMJNQDJUFUQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-14(12-7-5-6-8-12)13-9-10(2)16-11(13)3/h7,9,14-15H,4-6,8H2,1-3H3.
What are the key properties of N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 62079984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).