1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine

C12H21NO — CID 130944193

IUPAC1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1CCC(CC2(N)CC=CCC2)O1
InChIInChI=1S/C12H21NO/c1-10-5-6-11(14-10)9-12(13)7-3-2-4-8-12/h2-3,10-11H,4-9,13H2,1H3
InChIKeyPMXSRWFFSSGTHT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine

1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 130944193) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
PubChem CID130944193
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1CCC(CC2(N)CC=CCC2)O1
InChIInChI=1S/C12H21NO/c1-10-5-6-11(14-10)9-12(13)7-3-2-4-8-12/h2-3,10-11H,4-9,13H2,1H3
InChIKeyPMXSRWFFSSGTHT-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine (CID 130944193) is 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine is CC1CCC(CC2(N)CC=CCC2)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is PMXSRWFFSSGTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-5-6-11(14-10)9-12(13)7-3-2-4-8-12/h2-3,10-11H,4-9,13H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 130944193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).