1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine

C16H23NO2 — CID 71102214

IUPAC1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine
SMILESCOC1=CCC(CNCC2=CC=C(OC)CC2)C=C1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3,5,7-9,13,17H,4,6,10-12H2,1-2H3
InChIKeyGTBYSCYBCFWQTJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine

1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine (PubChem CID 71102214) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine
PubChem CID71102214
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine
SMILESCOC1=CCC(CNCC2=CC=C(OC)CC2)C=C1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3,5,7-9,13,17H,4,6,10-12H2,1-2H3
InChIKeyGTBYSCYBCFWQTJ-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine (CID 71102214) is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine is COC1=CCC(CNCC2=CC=C(OC)CC2)C=C1.
What is the InChIKey of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine?
The InChIKey is GTBYSCYBCFWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3,5,7-9,13,17H,4,6,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine?
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine is sourced from PubChem (CID 71102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).