[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol

C14H25NO2 — CID 100663043

IUPAC[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@@]1(CO)CCOC1
InChIInChI=1S/C14H25NO2/c1-11-4-3-5-12(2)13(11)8-15-14(9-16)6-7-17-10-14/h4,12-13,15-16H,3,5-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyOEKJLNAVXDTSLS-BFHYXJOUSA-N
MW239.36 g/mol
LogP1.72
Rot. Bonds4

About [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol

[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol (PubChem CID 100663043) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol
PubChem CID100663043
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@@]1(CO)CCOC1
InChIInChI=1S/C14H25NO2/c1-11-4-3-5-12(2)13(11)8-15-14(9-16)6-7-17-10-14/h4,12-13,15-16H,3,5-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyOEKJLNAVXDTSLS-BFHYXJOUSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.72
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 [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol?
The IUPAC name of [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol (CID 100663043) is [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol?
The canonical SMILES for [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol is CC1=CCC[C@H](C)[C@@H]1CN[C@@]1(CO)CCOC1.
What is the InChIKey of [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol?
The InChIKey is OEKJLNAVXDTSLS-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-3-5-12(2)13(11)8-15-14(9-16)6-7-17-10-14/h4,12-13,15-16H,3,5-10H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol?
[(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]oxolan-3-yl]methanol is sourced from PubChem (CID 100663043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).