N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine

C14H21NO — CID 62078327

IUPACN-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1occc1C
InChIInChI=1S/C14H21NO/c1-3-15-13(12-7-5-4-6-8-12)14-11(2)9-10-16-14/h7,9-10,13,15H,3-6,8H2,1-2H3
InChIKeyMIYPJVURTJJTML-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.74
Rot. Bonds4

About N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine

N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 62078327) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID62078327
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1occc1C
InChIInChI=1S/C14H21NO/c1-3-15-13(12-7-5-4-6-8-12)14-11(2)9-10-16-14/h7,9-10,13,15H,3-6,8H2,1-2H3
InChIKeyMIYPJVURTJJTML-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[cycloocten-1-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106656476
N-[(4-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 113396706
N-[(3-bromo-4-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 81471701
N-[(4-bromo-3,5-dimethylphenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106654741
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine (CID 62078327) is N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1occc1C.
What is the InChIKey of N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is MIYPJVURTJJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-13(12-7-5-4-6-8-12)14-11(2)9-10-16-14/h7,9-10,13,15H,3-6,8H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 62078327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).