cyclohexen-1-yl(oxolan-2-yl)methanamine

C11H19NO — CID 62080509

IUPACcyclohexen-1-yl(oxolan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C11H19NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8,12H2
InChIKeyPEEVWNHGGLOQEN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds2

About cyclohexen-1-yl(oxolan-2-yl)methanamine

cyclohexen-1-yl(oxolan-2-yl)methanamine (PubChem CID 62080509) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclohexen-1-yl(oxolan-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(oxolan-2-yl)methanamine
PubChem CID62080509
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclohexen-1-yl(oxolan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C11H19NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8,12H2
InChIKeyPEEVWNHGGLOQEN-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
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 cyclohexen-1-yl(oxolan-2-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(oxolan-2-yl)methanamine (CID 62080509) is cyclohexen-1-yl(oxolan-2-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(oxolan-2-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(oxolan-2-yl)methanamine is NC(C1=CCCCC1)C1CCCO1.
What is the InChIKey of cyclohexen-1-yl(oxolan-2-yl)methanamine?
The InChIKey is PEEVWNHGGLOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8,12H2.
What are the key properties of cyclohexen-1-yl(oxolan-2-yl)methanamine?
cyclohexen-1-yl(oxolan-2-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(oxolan-2-yl)methanamine is sourced from PubChem (CID 62080509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).