6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine

C13H19NO — CID 167256211

IUPAC6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C(C2=CC(C)C(C)O2)=CC1
InChIInChI=1S/C13H19NO/c1-8-4-5-11(12(14)6-8)13-7-9(2)10(3)15-13/h5-10H,4,14H2,1-3H3
InChIKeyRXQGRCCKOKIZIT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds1

About 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine

6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 167256211) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID167256211
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C(C2=CC(C)C(C)O2)=CC1
InChIInChI=1S/C13H19NO/c1-8-4-5-11(12(14)6-8)13-7-9(2)10(3)15-13/h5-10H,4,14H2,1-3H3
InChIKeyRXQGRCCKOKIZIT-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine (CID 167256211) is 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine is CC1C=C(N)C(C2=CC(C)C(C)O2)=CC1.
What is the InChIKey of 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is RXQGRCCKOKIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-4-5-11(12(14)6-8)13-7-9(2)10(3)15-13/h5-10H,4,14H2,1-3H3.
What are the key properties of 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine?
6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167256211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).