1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine

C12H21NO — CID 131142822

IUPAC1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine
SMILESCNCC1(C2C=CCCC2)CCOC1
InChIInChI=1S/C12H21NO/c1-13-9-12(7-8-14-10-12)11-5-3-2-4-6-11/h3,5,11,13H,2,4,6-10H2,1H3
InChIKeyMWYYYEDFGCIJPF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine

1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine (PubChem CID 131142822) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine
PubChem CID131142822
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine
SMILESCNCC1(C2C=CCCC2)CCOC1
InChIInChI=1S/C12H21NO/c1-13-9-12(7-8-14-10-12)11-5-3-2-4-6-11/h3,5,11,13H,2,4,6-10H2,1H3
InChIKeyMWYYYEDFGCIJPF-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine (CID 131142822) is 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine is CNCC1(C2C=CCCC2)CCOC1.
What is the InChIKey of 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine?
The InChIKey is MWYYYEDFGCIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-9-12(7-8-14-10-12)11-5-3-2-4-6-11/h3,5,11,13H,2,4,6-10H2,1H3.
What are the key properties of 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine?
1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohex-2-en-1-yloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 131142822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).