1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C15H27NO — CID 65156796

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27NO/c1-10-11(2)17-12(3)14(10)15(16-4)13-8-6-5-7-9-13/h8,10-12,14-16H,5-7,9H2,1-4H3
InChIKeyOTOYBXOFFFCLGT-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.13
Rot. Bonds3

About 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156796) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156796
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27NO/c1-10-11(2)17-12(3)14(10)15(16-4)13-8-6-5-7-9-13/h8,10-12,14-16H,5-7,9H2,1-4H3
InChIKeyOTOYBXOFFFCLGT-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.13
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-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156796) is 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(C1=CCCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is OTOYBXOFFFCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-11(2)17-12(3)14(10)15(16-4)13-8-6-5-7-9-13/h8,10-12,14-16H,5-7,9H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 237.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).