4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine

C11H17NO2 — CID 89073725

IUPAC4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCOCC2)=CC1
InChIInChI=1S/C11H17NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1,3-4,9,11H,2,5-8,12H2
InChIKeyCYXUTHOKZFLSTB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.35
Rot. Bonds2

About 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine

4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine (PubChem CID 89073725) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine
PubChem CID89073725
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCOCC2)=CC1
InChIInChI=1S/C11H17NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1,3-4,9,11H,2,5-8,12H2
InChIKeyCYXUTHOKZFLSTB-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopentyloxycyclohexa-2,4-dien-1-amine
CID 68200170
1-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 68764051
4-(Oxan-2-ylmethoxy)cyclohexa-2,4-dien-1-amine
CID 70974438
4-Cyclohexyloxycyclohexa-2,4-dien-1-amine
CID 89073629
3-Cyclohexyloxycyclohexa-2,4-dien-1-amine
CID 89073630
3-Cyclopentyloxycyclohexa-2,4-dien-1-amine
CID 89073728
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
4-(Oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine
CID 89074129
(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine
CID 89153966

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine (CID 89073725) is 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine is NC1C=CC(OC2CCOCC2)=CC1.
What is the InChIKey of 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is CYXUTHOKZFLSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1,3-4,9,11H,2,5-8,12H2.
What are the key properties of 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine?
4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 195.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).