4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol

C15H27NO2 — CID 103276919

IUPAC4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCOCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-7-13(2)9-14(8-12)10-16-11-15(17)3-5-18-6-4-15/h7,12,14,16-17H,3-6,8-11H2,1-2H3
InChIKeyYGMPIOLCLMYTCR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.11
Rot. Bonds4

About 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol

4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol (PubChem CID 103276919) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol
PubChem CID103276919
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol
SMILESCC1=CC(C)CC(CNCC2(O)CCOCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-7-13(2)9-14(8-12)10-16-11-15(17)3-5-18-6-4-15/h7,12,14,16-17H,3-6,8-11H2,1-2H3
InChIKeyYGMPIOLCLMYTCR-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol (CID 103276919) is 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol is CC1=CC(C)CC(CNCC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is YGMPIOLCLMYTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-7-13(2)9-14(8-12)10-16-11-15(17)3-5-18-6-4-15/h7,12,14,16-17H,3-6,8-11H2,1-2H3.
What are the key properties of 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol?
4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 253.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).