1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

C12H21NO — CID 62904965

IUPAC1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCC1)C1CCOCC1
InChIInChI=1S/C12H21NO/c1-13-12(10-4-2-3-5-10)11-6-8-14-9-7-11/h4,11-13H,2-3,5-9H2,1H3
InChIKeyQMPYOMXTZHNZDC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62904965) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62904965
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCC1)C1CCOCC1
InChIInChI=1S/C12H21NO/c1-13-12(10-4-2-3-5-10)11-6-8-14-9-7-11/h4,11-13H,2-3,5-9H2,1H3
InChIKeyQMPYOMXTZHNZDC-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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-(oxan-4-yl)methanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62904965) is 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1=CCCC1)C1CCOCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is QMPYOMXTZHNZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-12(10-4-2-3-5-10)11-6-8-14-9-7-11/h4,11-13H,2-3,5-9H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 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-(oxan-4-yl)methanamine is sourced from PubChem (CID 62904965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).