N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

C15H23NO — CID 43103195

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCC2=CCCCC2)o1
InChIInChI=1S/C15H23NO/c1-12-8-9-15(17-12)13(2)16-11-10-14-6-4-3-5-7-14/h6,8-9,13,16H,3-5,7,10-11H2,1-2H3
InChIKeyYCEXLUJXUQMWKX-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.13
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43103195) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43103195
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCC2=CCCCC2)o1
InChIInChI=1S/C15H23NO/c1-12-8-9-15(17-12)13(2)16-11-10-14-6-4-3-5-7-14/h6,8-9,13,16H,3-5,7,10-11H2,1-2H3
InChIKeyYCEXLUJXUQMWKX-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.13
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

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781439
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106169878
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115704085

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43103195) is N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCCC2=CCCCC2)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is YCEXLUJXUQMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-8-9-15(17-12)13(2)16-11-10-14-6-4-3-5-7-14/h6,8-9,13,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).