1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine

C11H19NO2 — CID 131036407

IUPAC1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
SMILESNC1(COC2CCOC2)CC=CCC1
InChIInChI=1S/C11H19NO2/c12-11(5-2-1-3-6-11)9-14-10-4-7-13-8-10/h1-2,10H,3-9,12H2
InChIKeyWVLQETYYZLRKOT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds3

About 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine

1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine (PubChem CID 131036407) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
PubChem CID131036407
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
SMILESNC1(COC2CCOC2)CC=CCC1
InChIInChI=1S/C11H19NO2/c12-11(5-2-1-3-6-11)9-14-10-4-7-13-8-10/h1-2,10H,3-9,12H2
InChIKeyWVLQETYYZLRKOT-UHFFFAOYSA-N
XLogP1.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-(oxolan-3-yloxymethyl)cyclopropyl]ethanimidamide
CID 77071194
1-(oxolan-3-yloxymethyl)cyclobutane-1-carbonitrile
CID 126982214
ethane;3-ethoxyoxolane
CID 142523367
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 130944193
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
CID 79900577
3-propoxyoxolane
CID 14071397
1-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 130901501
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
2-(oxolan-3-yloxy)acetaldehyde
CID 54518073

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine?
The IUPAC name of 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine (CID 131036407) is 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine?
The canonical SMILES for 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine is NC1(COC2CCOC2)CC=CCC1.
What is the InChIKey of 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine?
The InChIKey is WVLQETYYZLRKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-11(5-2-1-3-6-11)9-14-10-4-7-13-8-10/h1-2,10H,3-9,12H2.
What are the key properties of 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine?
1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 131036407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).