cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine

C12H21NO — CID 79760222

IUPACcyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11-12H,2-4,6-8,13H2,1H3
InChIKeyRWRXEJKNDDUDIA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds2

About cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine

cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine (PubChem CID 79760222) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
PubChem CID79760222
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11-12H,2-4,6-8,13H2,1H3
InChIKeyRWRXEJKNDDUDIA-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
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 cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine (CID 79760222) is cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine?
The InChIKey is RWRXEJKNDDUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11-12H,2-4,6-8,13H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine?
cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79760222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).