4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine

C12H19NO2 — CID 70915602

IUPAC4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine
SMILESCOC1=CCC(C2(N)CCOCC2)C=C1
InChIInChI=1S/C12H19NO2/c1-14-11-4-2-10(3-5-11)12(13)6-8-15-9-7-12/h2,4-5,10H,3,6-9,13H2,1H3
InChIKeyAWEVEMLOCUKKEP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds2

About 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine

4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine (PubChem CID 70915602) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine
PubChem CID70915602
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine
SMILESCOC1=CCC(C2(N)CCOCC2)C=C1
InChIInChI=1S/C12H19NO2/c1-14-11-4-2-10(3-5-11)12(13)6-8-15-9-7-12/h2,4-5,10H,3,6-9,13H2,1H3
InChIKeyAWEVEMLOCUKKEP-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine?
The IUPAC name of 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine (CID 70915602) is 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine.
What is the SMILES notation for 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine?
The canonical SMILES for 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine is COC1=CCC(C2(N)CCOCC2)C=C1.
What is the InChIKey of 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine?
The InChIKey is AWEVEMLOCUKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-11-4-2-10(3-5-11)12(13)6-8-15-9-7-12/h2,4-5,10H,3,6-9,13H2,1H3.
What are the key properties of 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine?
4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexa-2,4-dien-1-yl)oxan-4-amine is sourced from PubChem (CID 70915602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).