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

C13H23NO — CID 107136848

IUPAC2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCCOC1
InChIInChI=1S/C13H23NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10,14H2
InChIKeyBIVZCUXFZXBIKI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds3

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

2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine (PubChem CID 107136848) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine
PubChem CID107136848
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1CCCOC1
InChIInChI=1S/C13H23NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10,14H2
InChIKeyBIVZCUXFZXBIKI-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(Oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
CID 123818058
2-[(2E,4Z)-1-cyclohexa-1,5-dien-1-yl-2-methylhepta-2,4-dienyl]oxan-4-amine
CID 160410972
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907584
Cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine (CID 107136848) is 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine is NC(CC1=CCCCC1)C1CCCOC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine?
The InChIKey is BIVZCUXFZXBIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h5,12-13H,1-4,6-10,14H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 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-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).