1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C13H23NO — CID 65156194

IUPAC1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1=CCCC1
InChIInChI=1S/C13H23NO/c1-14-13(11-5-2-3-6-11)9-8-12-7-4-10-15-12/h5,12-14H,2-4,6-10H2,1H3
InChIKeyLLXPIIJABXOHGM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds5

About 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65156194) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID65156194
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1=CCCC1
InChIInChI=1S/C13H23NO/c1-14-13(11-5-2-3-6-11)9-8-12-7-4-10-15-12/h5,12-14H,2-4,6-10H2,1H3
InChIKeyLLXPIIJABXOHGM-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
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-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 65156194) is 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is LLXPIIJABXOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(11-5-2-3-6-11)9-8-12-7-4-10-15-12/h5,12-14H,2-4,6-10H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 5 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-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65156194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).