1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C11H19NO — CID 62077854

IUPAC1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1=CCCC1)C1CCCO1
InChIInChI=1S/C11H19NO/c1-12-11(9-5-2-3-6-9)10-7-4-8-13-10/h5,10-12H,2-4,6-8H2,1H3
InChIKeyIJFJJFYXYKMAQC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 62077854) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID62077854
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1=CCCC1)C1CCCO1
InChIInChI=1S/C11H19NO/c1-12-11(9-5-2-3-6-9)10-7-4-8-13-10/h5,10-12H,2-4,6-8H2,1H3
InChIKeyIJFJJFYXYKMAQC-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 62077854) is 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(C1=CCCC1)C1CCCO1.
What is the InChIKey of 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is IJFJJFYXYKMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-11(9-5-2-3-6-9)10-7-4-8-13-10/h5,10-12H,2-4,6-8H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 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-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62077854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).