1-cyclohexa-1,5-dien-1-ylethanamine

C8H13N — CID 91106318

IUPAC1-cyclohexa-1,5-dien-1-ylethanamine
SMILESCC(N)C1=CCCC=C1
InChIInChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h3,5-7H,2,4,9H2,1H3
InChIKeyDDFHCNSXPQQUHD-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylethanamine

1-cyclohexa-1,5-dien-1-ylethanamine (PubChem CID 91106318) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylethanamine
PubChem CID91106318
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-cyclohexa-1,5-dien-1-ylethanamine
SMILESCC(N)C1=CCCC=C1
InChIInChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h3,5-7H,2,4,9H2,1H3
InChIKeyDDFHCNSXPQQUHD-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylethanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylethanamine (CID 91106318) is 1-cyclohexa-1,5-dien-1-ylethanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylethanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylethanamine is CC(N)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylethanamine?
The InChIKey is DDFHCNSXPQQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(9)8-5-3-2-4-6-8/h3,5-7H,2,4,9H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylethanamine?
1-cyclohexa-1,5-dien-1-ylethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylethanamine is sourced from PubChem (CID 91106318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).