3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine

C13H23NO — CID 65171754

IUPAC3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine
SMILESNC1C=C(CCCC2CCCO2)CCC1
InChIInChI=1S/C13H23NO/c14-12-6-1-4-11(10-12)5-2-7-13-8-3-9-15-13/h10,12-13H,1-9,14H2
InChIKeyREIWTBICUDOHGC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds4

About 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine

3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine (PubChem CID 65171754) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine
PubChem CID65171754
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine
SMILESNC1C=C(CCCC2CCCO2)CCC1
InChIInChI=1S/C13H23NO/c14-12-6-1-4-11(10-12)5-2-7-13-8-3-9-15-13/h10,12-13H,1-9,14H2
InChIKeyREIWTBICUDOHGC-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
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 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine (CID 65171754) is 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine is NC1C=C(CCCC2CCCO2)CCC1.
What is the InChIKey of 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine?
The InChIKey is REIWTBICUDOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-6-1-4-11(10-12)5-2-7-13-8-3-9-15-13/h10,12-13H,1-9,14H2.
What are the key properties of 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine?
3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 65171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).