1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C12H17NO — CID 62078521

IUPAC1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(C1=CCCC1)c1ccoc1C
InChIInChI=1S/C12H17NO/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h5,7-8,12-13H,3-4,6H2,1-2H3
InChIKeyRLIPPBUFWKJUEV-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.96
Rot. Bonds3

About 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 62078521) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID62078521
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(C1=CCCC1)c1ccoc1C
InChIInChI=1S/C12H17NO/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h5,7-8,12-13H,3-4,6H2,1-2H3
InChIKeyRLIPPBUFWKJUEV-UHFFFAOYSA-N
XLogP2.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.96
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-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106859015
N-methyl-1-(2-methylfuran-3-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483972
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 43484197
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
1-(cyclopenten-1-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62077852
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 62078521) is 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(C1=CCCC1)c1ccoc1C.
What is the InChIKey of 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is RLIPPBUFWKJUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h5,7-8,12-13H,3-4,6H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 62078521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).