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

C8H13N — CID 21074092

IUPAC2-cyclohexa-1,5-dien-1-ylethanamine
SMILESNCCC1=CCCC=C1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7,9H2
InChIKeyVGJOWSQJJOVTAH-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-ylethanamine

2-cyclohexa-1,5-dien-1-ylethanamine (PubChem CID 21074092) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylethanamine
PubChem CID21074092
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-cyclohexa-1,5-dien-1-ylethanamine
SMILESNCCC1=CCCC=C1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7,9H2
InChIKeyVGJOWSQJJOVTAH-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1-(2-Aminoethyl)-1,4-cyclohexadiene
CID 11506451
4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
(5E)-octa-5,7-dien-1-amine
CID 11159327
Dihydrobenzylamine
CID 12635460
(e)-4,6-Heptadienylamine
CID 13658911
3-(Cyclohexa-1,4-dien-1-yl)-1-propanamine
CID 14548177
3-Cyclopenta-1,3-dien-1-ylpropan-1-amine
CID 14591841
Dihydrophenylethylamine
CID 14846436
1-Methylphenylmethylamine
CID 20261165
[3h]-Phenylethylamine
CID 21074081
Cyclohexa-1,4-dien-1-ylmethanamine
CID 21442526
3,4-Dihydrobenzylamine
CID 21950499

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylethanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylethanamine (CID 21074092) is 2-cyclohexa-1,5-dien-1-ylethanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylethanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylethanamine is NCCC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylethanamine?
The InChIKey is VGJOWSQJJOVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7,9H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylethanamine?
2-cyclohexa-1,5-dien-1-ylethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylethanamine is sourced from PubChem (CID 21074092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).