cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

C14H25NO — CID 65156793

IUPACcyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=CCCCC2)C1C
InChIInChI=1S/C14H25NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13-14H,4-6,8,15H2,1-3H3
InChIKeyIRHQDUWMQVROAT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156793) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156793
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namecyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=CCCCC2)C1C
InChIInChI=1S/C14H25NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13-14H,4-6,8,15H2,1-3H3
InChIKeyIRHQDUWMQVROAT-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
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-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156793) is cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)C2=CCCCC2)C1C.
What is the InChIKey of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is IRHQDUWMQVROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13-14H,4-6,8,15H2,1-3H3.
What are the key properties of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).