3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol

C12H21NO2 — CID 106101179

IUPAC3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1C=CCCC1
InChIInChI=1S/C12H21NO2/c1-10-12(14,7-8-15-10)9-13-11-5-3-2-4-6-11/h3,5,10-11,13-14H,2,4,6-9H2,1H3
InChIKeyUZWFJPMKFGJGJV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.22
Rot. Bonds3

About 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol

3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106101179) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106101179
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1C=CCCC1
InChIInChI=1S/C12H21NO2/c1-10-12(14,7-8-15-10)9-13-11-5-3-2-4-6-11/h3,5,10-11,13-14H,2,4,6-9H2,1H3
InChIKeyUZWFJPMKFGJGJV-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.22
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 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol (CID 106101179) is 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNC1C=CCCC1.
What is the InChIKey of 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is UZWFJPMKFGJGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-12(14,7-8-15-10)9-13-11-5-3-2-4-6-11/h3,5,10-11,13-14H,2,4,6-9H2,1H3.
What are the key properties of 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol?
3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 211.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-2-en-1-ylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106101179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).