2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine

C9H15NO — CID 143110185

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine
SMILESNCCOCC1=CCCC=C1
InChIInChI=1S/C9H15NO/c10-6-7-11-8-9-4-2-1-3-5-9/h2,4-5H,1,3,6-8,10H2
InChIKeyGOCQEEGXQLXWIQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds4

About 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine

2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine (PubChem CID 143110185) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine
PubChem CID143110185
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine
SMILESNCCOCC1=CCCC=C1
InChIInChI=1S/C9H15NO/c10-6-7-11-8-9-4-2-1-3-5-9/h2,4-5H,1,3,6-8,10H2
InChIKeyGOCQEEGXQLXWIQ-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 142279462
[3-(Oxomethylidene)cyclohexa-1,5-dien-1-yl]methyl 2-aminoacetate
CID 54441497
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57034688
2-(Cyclopenta-1,3-dien-1-ylmethoxy)ethanamine
CID 68017375
3-(Methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
CID 88985054
2-(1-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 89093675
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
4-(Methoxymethyl)cyclohexa-2,4-dien-1-amine
CID 89594166
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
2-(6-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 118457795
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
6-Methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 123874139

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine (CID 143110185) is 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine is NCCOCC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine?
The InChIKey is GOCQEEGXQLXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-6-7-11-8-9-4-2-1-3-5-9/h2,4-5H,1,3,6-8,10H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine?
2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethoxy)ethanamine is sourced from PubChem (CID 143110185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).