2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine

C12H21NO — CID 116661247

IUPAC2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCOC1
InChIInChI=1S/C12H21NO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9,13H2
InChIKeyDRCZCHJLRDAGIB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine

2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 116661247) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID116661247
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCOC1
InChIInChI=1S/C12H21NO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9,13H2
InChIKeyDRCZCHJLRDAGIB-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 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 ≤ 52.24
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 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine (CID 116661247) is 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine is NC(CC1=CCCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is DRCZCHJLRDAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 116661247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).