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

C15H23NO2 — CID 122527862

IUPAC1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine
SMILESCOC1=CCC(CNCC2=C(OC)CCC2)C=C1
InChIInChI=1S/C15H23NO2/c1-17-14-8-6-12(7-9-14)10-16-11-13-4-3-5-15(13)18-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyOOXNOFKBOFTPJT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds6

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

1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine (PubChem CID 122527862) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine
PubChem CID122527862
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine
SMILESCOC1=CCC(CNCC2=C(OC)CCC2)C=C1
InChIInChI=1S/C15H23NO2/c1-17-14-8-6-12(7-9-14)10-16-11-13-4-3-5-15(13)18-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyOOXNOFKBOFTPJT-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
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-[(2-methoxycyclopenten-1-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine (CID 122527862) is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine is COC1=CCC(CNCC2=C(OC)CCC2)C=C1.
What is the InChIKey of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine?
The InChIKey is OOXNOFKBOFTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-8-6-12(7-9-14)10-16-11-13-4-3-5-15(13)18-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine?
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 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-[(2-methoxycyclopenten-1-yl)methyl]methanamine is sourced from PubChem (CID 122527862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).