[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine

C13H23NO — CID 103277814

IUPAC[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine
SMILESCC1=CC(C)CC(C2OCCC2CN)C1
InChIInChI=1S/C13H23NO/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5,9,11-13H,3-4,6-8,14H2,1-2H3
InChIKeyKFXVMRULRZHKGE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds2

About [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine

[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine (PubChem CID 103277814) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine
PubChem CID103277814
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine
SMILESCC1=CC(C)CC(C2OCCC2CN)C1
InChIInChI=1S/C13H23NO/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5,9,11-13H,3-4,6-8,14H2,1-2H3
InChIKeyKFXVMRULRZHKGE-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
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 [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine (CID 103277814) is [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine is CC1=CC(C)CC(C2OCCC2CN)C1.
What is the InChIKey of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine?
The InChIKey is KFXVMRULRZHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5,9,11-13H,3-4,6-8,14H2,1-2H3.
What are the key properties of [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine?
[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 103277814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).