2-cyclohexa-1,3-dien-1-yloxyethanamine

C8H13NO — CID 143873159

IUPAC2-cyclohexa-1,3-dien-1-yloxyethanamine
SMILESNCCOC1=CC=CCC1
InChIInChI=1S/C8H13NO/c9-6-7-10-8-4-2-1-3-5-8/h1-2,4H,3,5-7,9H2
InChIKeyFBACLAYDFBPCAJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.20
Rot. Bonds3

About 2-cyclohexa-1,3-dien-1-yloxyethanamine

2-cyclohexa-1,3-dien-1-yloxyethanamine (PubChem CID 143873159) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yloxyethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yloxyethanamine
PubChem CID143873159
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-cyclohexa-1,3-dien-1-yloxyethanamine
SMILESNCCOC1=CC=CCC1
InChIInChI=1S/C8H13NO/c9-6-7-10-8-4-2-1-3-5-8/h1-2,4H,3,5-7,9H2
InChIKeyFBACLAYDFBPCAJ-UHFFFAOYSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yloxyethanamine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yloxyethanamine (CID 143873159) is 2-cyclohexa-1,3-dien-1-yloxyethanamine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yloxyethanamine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yloxyethanamine is NCCOC1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yloxyethanamine?
The InChIKey is FBACLAYDFBPCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-7-10-8-4-2-1-3-5-8/h1-2,4H,3,5-7,9H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yloxyethanamine?
2-cyclohexa-1,3-dien-1-yloxyethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yloxyethanamine is sourced from PubChem (CID 143873159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).