2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine

C9H15NO — CID 11435055

IUPAC2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
SMILESCOC1=CCC(CCN)=CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,5H,3-4,6-7,10H2,1H3
InChIKeyQWSONUZVVPJANE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine

2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine (PubChem CID 11435055) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
PubChem CID11435055
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
SMILESCOC1=CCC(CCN)=CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,5H,3-4,6-7,10H2,1H3
InChIKeyQWSONUZVVPJANE-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
2-(5-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 12160618
3-(2-Methoxycyclohexa-1,4-dien-1-yl)propan-1-amine
CID 10964900
1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
2-(3-Methoxycyclohexa-2,5-dien-1-yl)ethanamine
CID 20613676
1-[(1S)-1-aminoethyl]-4-methoxy-1,4-cyclohexadiene
CID 54552279
(2,6-dimethyl-4H-pyran-3-yl)methanamine
CID 140731358
Ethane;1-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 141794460
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
CID 143088498
(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine
CID 174097581
2-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylethanamine
CID 12400613
1-(4-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 19918638

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine (CID 11435055) is 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine is COC1=CCC(CCN)=CC1.
What is the InChIKey of 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine?
The InChIKey is QWSONUZVVPJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,5H,3-4,6-7,10H2,1H3.
What are the key properties of 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine?
2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine is sourced from PubChem (CID 11435055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).