4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine

C12H17NO — CID 167215524

IUPAC4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine
SMILESCC1C=C(C2C=CC(N)=CC2)OC1C
InChIInChI=1S/C12H17NO/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3,5-10H,4,13H2,1-2H3
InChIKeyCLHOBTRRWMXFSF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds1

About 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine

4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 167215524) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine
PubChem CID167215524
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine
SMILESCC1C=C(C2C=CC(N)=CC2)OC1C
InChIInChI=1S/C12H17NO/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3,5-10H,4,13H2,1-2H3
InChIKeyCLHOBTRRWMXFSF-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine (CID 167215524) is 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine is CC1C=C(C2C=CC(N)=CC2)OC1C.
What is the InChIKey of 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is CLHOBTRRWMXFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3,5-10H,4,13H2,1-2H3.
What are the key properties of 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine?
4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-2,3-dihydrofuran-5-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167215524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).