5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine

C13H17NO — CID 123779423

IUPAC5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=C(C2=CC=CCC2)CC1N
InChIInChI=1S/C13H17NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-3,5,7-8,12H,4,6,9,14H2,1H3
InChIKeyKKRKXQBRTFJCLK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.45
Rot. Bonds2

About 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine

5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 123779423) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
PubChem CID123779423
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=C(C2=CC=CCC2)CC1N
InChIInChI=1S/C13H17NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-3,5,7-8,12H,4,6,9,14H2,1H3
InChIKeyKKRKXQBRTFJCLK-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373944
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methanamine
CID 68945861
2-[2-Cyclohexa-1,3-dien-1-yl-1-(sulfinatoamino)ethyl]-1,4-dioxine
CID 90742576
1-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90833504
1-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethanamine
CID 90994155
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
CID 91214374
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylethanamine
CID 91511846
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
(Z)-4-methoxytridec-3-en-5-amine
CID 143745204
Ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703717

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine (CID 123779423) is 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine is COC1=CC=C(C2=CC=CCC2)CC1N.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is KKRKXQBRTFJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-3,5,7-8,12H,4,6,9,14H2,1H3.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine?
5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123779423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).