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

C12H21NO — CID 62212632

IUPACcyclohexen-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h6,11-12H,1-5,7-9,13H2
InChIKeyVJWQOCKNCOGNTR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds2

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

cyclohexen-1-yl(oxan-2-yl)methanamine (PubChem CID 62212632) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohexen-1-yl(oxan-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(oxan-2-yl)methanamine
PubChem CID62212632
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohexen-1-yl(oxan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h6,11-12H,1-5,7-9,13H2
InChIKeyVJWQOCKNCOGNTR-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'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(oxan-2-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(oxan-2-yl)methanamine (CID 62212632) is cyclohexen-1-yl(oxan-2-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(oxan-2-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(oxan-2-yl)methanamine is NC(C1=CCCCC1)C1CCCCO1.
What is the InChIKey of cyclohexen-1-yl(oxan-2-yl)methanamine?
The InChIKey is VJWQOCKNCOGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h6,11-12H,1-5,7-9,13H2.
What are the key properties of cyclohexen-1-yl(oxan-2-yl)methanamine?
cyclohexen-1-yl(oxan-2-yl)methanamine 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 cyclohexen-1-yl(oxan-2-yl)methanamine is sourced from PubChem (CID 62212632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).