4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine

C12H19NO — CID 89073833

IUPAC4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(OC2CCCC2)=CCC1N
InChIInChI=1S/C12H19NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,8,10,12H,2-5,7,13H2,1H3
InChIKeyWZDRUPWFHHFLRY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds2

About 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine

4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89073833) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
PubChem CID89073833
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(OC2CCCC2)=CCC1N
InChIInChI=1S/C12H19NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,8,10,12H,2-5,7,13H2,1H3
InChIKeyWZDRUPWFHHFLRY-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-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine (CID 89073833) is 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine is CC1=CC(OC2CCCC2)=CCC1N.
What is the InChIKey of 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is WZDRUPWFHHFLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,8,10,12H,2-5,7,13H2,1H3.
What are the key properties of 4-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine?
4-cyclopentyloxy-2-methylcyclohexa-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-cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).