5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H23NO — CID 114619851

IUPAC5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OC3C=CCCC3)cccc21
InChIInChI=1S/C17H23NO/c1-18-16-11-5-10-15-14(16)9-6-12-17(15)19-13-7-3-2-4-8-13/h3,6-7,9,12-13,16,18H,2,4-5,8,10-11H2,1H3
InChIKeyFOVDIRUIYMVSHO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.77
Rot. Bonds3

About 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114619851) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114619851
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OC3C=CCCC3)cccc21
InChIInChI=1S/C17H23NO/c1-18-16-11-5-10-15-14(16)9-6-12-17(15)19-13-7-3-2-4-8-13/h3,6-7,9,12-13,16,18H,2,4-5,8,10-11H2,1H3
InChIKeyFOVDIRUIYMVSHO-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.77
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 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114619851) is 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OC3C=CCCC3)cccc21.
What is the InChIKey of 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FOVDIRUIYMVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18-16-11-5-10-15-14(16)9-6-12-17(15)19-13-7-3-2-4-8-13/h3,6-7,9,12-13,16,18H,2,4-5,8,10-11H2,1H3.
What are the key properties of 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114619851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).