4-cyclohexyloxycyclohexa-2,4-dien-1-amine

C12H19NO — CID 89073629

IUPAC4-cyclohexyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCCCC2)=CC1
InChIInChI=1S/C12H19NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6,8-11H,1-5,7,13H2
InChIKeyABULCYUFOSQTMW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds2

About 4-cyclohexyloxycyclohexa-2,4-dien-1-amine

4-cyclohexyloxycyclohexa-2,4-dien-1-amine (PubChem CID 89073629) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-cyclohexyloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexyloxycyclohexa-2,4-dien-1-amine
PubChem CID89073629
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-cyclohexyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCCCC2)=CC1
InChIInChI=1S/C12H19NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6,8-11H,1-5,7,13H2
InChIKeyABULCYUFOSQTMW-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclohexyloxycyclohexa-2,4-dien-1-amine (CID 89073629) is 4-cyclohexyloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclohexyloxycyclohexa-2,4-dien-1-amine is NC1C=CC(OC2CCCCC2)=CC1.
What is the InChIKey of 4-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The InChIKey is ABULCYUFOSQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6,8-11H,1-5,7,13H2.
What are the key properties of 4-cyclohexyloxycyclohexa-2,4-dien-1-amine?
4-cyclohexyloxycyclohexa-2,4-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).